6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide

C20H17ClN2O4 — CID 155942915

IUPAC6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-11-3-5-13(6-4-11)23-19(25)10-22-20(26)18-9-16(24)14-8-15(21)12(2)7-17(14)27-18/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyRQJYQJUJFZCFOI-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.43
Rot. Bonds4

About 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide

6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide (PubChem CID 155942915) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
PubChem CID155942915
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-11-3-5-13(6-4-11)23-19(25)10-22-20(26)18-9-16(24)14-8-15(21)12(2)7-17(14)27-18/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyRQJYQJUJFZCFOI-UHFFFAOYSA-N
XLogP3.43
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-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-benzyl-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 35141061
N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20857004
6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 26834146
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612
6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842
6-chloro-7-methyl-4-oxo-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578846
6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26835057
ethyl 4-[[2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001065
6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide
CID 35337898
6-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-7-methyl-4-oxochromene-2-carboxamide
CID 4975440
6,7-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)chromene-2-carboxamide
CID 4974370
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide (CID 155942915) is 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1.
What is the InChIKey of 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The InChIKey is RQJYQJUJFZCFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-11-3-5-13(6-4-11)23-19(25)10-22-20(26)18-9-16(24)14-8-15(21)12(2)7-17(14)27-18/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 155942915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).