(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H17ClN2O3 — CID 9091469

IUPAC(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-20-17(22)11-2-5-15(6-3-11)21-18(23)13-8-12-9-14(19)4-7-16(12)24-10-13/h2-7,9,13H,8,10H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyMHEXECWGGJKGOE-ZDUSSCGKSA-N
MW344.80 g/mol
LogP2.89
Rot. Bonds3

About (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 9091469) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID9091469
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-20-17(22)11-2-5-15(6-3-11)21-18(23)13-8-12-9-14(19)4-7-16(12)24-10-13/h2-7,9,13H,8,10H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyMHEXECWGGJKGOE-ZDUSSCGKSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide 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

N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
6-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55921289
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725
(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870613
(3R)-6-[(4-chlorobenzoyl)amino]-N-cyclopropyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091533
(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8869414
(3S)-6-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496367
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924917
(3R)-6-chloro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51924915

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 9091469) is (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CNC(=O)c1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1.
What is the InChIKey of (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is MHEXECWGGJKGOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-20-17(22)11-2-5-15(6-3-11)21-18(23)13-8-12-9-14(19)4-7-16(12)24-10-13/h2-7,9,13H,8,10H2,1H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 9091469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).