(8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C37H34Cl2N2O6 — CID 159278433

IUPAC(8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCC2.O=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCC2
InChIInChI=1S/C19H18ClNO3.C18H16ClNO3/c1-24-19(23)13-10-9-12-5-4-8-17(15(12)11-13)21-18(22)14-6-2-3-7-16(14)20;19-15-6-2-1-5-13(15)17(21)20-16-7-3-4-11-8-9-12(18(22)23)10-14(11)16/h2-3,6-7,9-11,17H,4-5,8H2,1H3,(H,21,22);1-2,5-6,8-10,16H,3-4,7H2,(H,20,21)(H,22,23)/t17-;16-/m11/s1
InChIKeyKYPKIBAXWIYZOG-IWOKJYGASA-N
MW673.59 g/mol
LogP7.78
Rot. Bonds6

About (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate

(8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 159278433) has the molecular formula C37H34Cl2N2O6 and a molecular weight of 673.59 g/mol. Its IUPAC name is (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID159278433
Molecular FormulaC37H34Cl2N2O6
Molecular Weight673.59 g/mol
Exact Mass672.18
IUPAC Name(8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCC2.O=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCC2
InChIInChI=1S/C19H18ClNO3.C18H16ClNO3/c1-24-19(23)13-10-9-12-5-4-8-17(15(12)11-13)21-18(22)14-6-2-3-7-16(14)20;19-15-6-2-1-5-13(15)17(21)20-16-7-3-4-11-8-9-12(18(22)23)10-14(11)16/h2-3,6-7,9-11,17H,4-5,8H2,1H3,(H,21,22);1-2,5-6,8-10,16H,3-4,7H2,(H,20,21)(H,22,23)/t17-;16-/m11/s1
InChIKeyKYPKIBAXWIYZOG-IWOKJYGASA-N
XLogP7.78
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.59
LogP ≤ 57.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(2-chlorophenyl)phenyl]methyl-[(1S)-tetralin-1-yl]carbamoyl]benzene-1,2,4-tricarboxylic acid
CID 10281827
methyl (8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 59505622
(8R)-8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 59505656
Methyl 8-[(2-chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 67546880
8-[(2-Chlorobenzoyl)amino]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 67548478
carbanide;methyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;2,2,2-trifluoroacetic acid;hydroiodide
CID 157487766
N,N'-di(tridecyl)-1,6,7,12-tetrachloroperylene-3,4,9,10-tetracarboxylic diimide
CID 172053569
5-({[(2'-chloro[1,1'-biphenyl]-3-yl)methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]carbonyl)-1,2,4-benzenetricarboxylic Acid
CID 10232000
2-Chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoic acid
CID 18673034
Methyl 2-chloro-4-(1-naphthalen-1-ylethylcarbamoyl)benzoate
CID 23560774
methyl N-[4-[3-chloro-2-(3-ethylphenyl)phenyl]-4-hydroxy-4-[(3R)-1-[4-(methylaminomethyl)naphthalene-1-carbonyl]piperidin-3-yl]butyl]carbamate
CID 25098161
5-[[2-[(4-Chlorophenyl)methyl]benzoyl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 25155190

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 159278433) is (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCC2.O=C(O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CCC2.
What is the InChIKey of (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is KYPKIBAXWIYZOG-IWOKJYGASA-N. The full InChI is InChI=1S/C19H18ClNO3.C18H16ClNO3/c1-24-19(23)13-10-9-12-5-4-8-17(15(12)11-13)21-18(22)14-6-2-3-7-16(14)20;19-15-6-2-1-5-13(15)17(21)20-16-7-3-4-11-8-9-12(18(22)23)10-14(11)16/h2-3,6-7,9-11,17H,4-5,8H2,1H3,(H,21,22);1-2,5-6,8-10,16H,3-4,7H2,(H,20,21)(H,22,23)/t17-;16-/m11/s1.
What are the key properties of (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
(8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 673.59 g/mol, XLogP of 7.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;methyl (8R)-8-[(2-chlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 159278433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).