(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C18H16ClNO4 — CID 59505366

IUPAC(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCOc1ccc(C(=O)N[C@@H]2CCc3ccc(C(=O)O)cc32)c(Cl)c1
InChIInChI=1S/C18H16ClNO4/c1-24-12-5-6-13(15(19)9-12)17(21)20-16-7-4-10-2-3-11(18(22)23)8-14(10)16/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyKHBHWEPZOFRINH-MRXNPFEDSA-N
MW345.78 g/mol
LogP3.46
Rot. Bonds4

About (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505366) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505366
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCOc1ccc(C(=O)N[C@@H]2CCc3ccc(C(=O)O)cc32)c(Cl)c1
InChIInChI=1S/C18H16ClNO4/c1-24-12-5-6-13(15(19)9-12)17(21)20-16-7-4-10-2-3-11(18(22)23)8-14(10)16/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyKHBHWEPZOFRINH-MRXNPFEDSA-N
XLogP3.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid with MolForge

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Related Compounds

5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid;methyl 5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CID 162002147
3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799120
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
4-[(2-chloro-4-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 58230869
methyl 3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67546137
(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505245
2-fluoro-4-methoxy-N-[6-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 66700581
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798745
8-[(8-chloroisoquinoline-4-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 167753842

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505366) is (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is COc1ccc(C(=O)N[C@@H]2CCc3ccc(C(=O)O)cc32)c(Cl)c1.
What is the InChIKey of (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is KHBHWEPZOFRINH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16ClNO4/c1-24-12-5-6-13(15(19)9-12)17(21)20-16-7-4-10-2-3-11(18(22)23)8-14(10)16/h2-3,5-6,8-9,16H,4,7H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 345.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).