(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C18H17Cl2NO3 — CID 9083772

IUPAC(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1
InChIInChI=1S/C18H17Cl2NO3/c1-10-5-15(17(23-2)8-14(10)20)21-18(22)12-6-11-7-13(19)3-4-16(11)24-9-12/h3-5,7-8,12H,6,9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyNNSZLKABCXQEBW-GFCCVEGCSA-N
MW366.24 g/mol
LogP4.50
Rot. Bonds3

About (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 9083772) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID9083772
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1
InChIInChI=1S/C18H17Cl2NO3/c1-10-5-15(17(23-2)8-14(10)20)21-18(22)12-6-11-7-13(19)3-4-16(11)24-9-12/h3-5,7-8,12H,6,9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyNNSZLKABCXQEBW-GFCCVEGCSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222
6-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55955116
N-(4-bromo-2-chloro-6-methylphenyl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 112831322
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
(3S)-N-[4-(2-amino-2-oxoethoxy)-2-methylphenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 94633318
6-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42930090
6-chloro-N-[2-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55595952
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46684270
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
6-chloro-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 44571731

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 9083772) is (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1.
What is the InChIKey of (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NNSZLKABCXQEBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-10-5-15(17(23-2)8-14(10)20)21-18(22)12-6-11-7-13(19)3-4-16(11)24-9-12/h3-5,7-8,12H,6,9H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 366.24 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 9083772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).