N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide

C18H14ClNO4 — CID 5262140

IUPACN-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1
InChIInChI=1S/C18H14ClNO4/c1-10-14(19)4-3-5-15(10)20-17(21)13-8-11-6-7-12(23-2)9-16(11)24-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyGTDGARFZPCTYLK-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.02
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide

N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 5262140) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID5262140
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1
InChIInChI=1S/C18H14ClNO4/c1-10-14(19)4-3-5-15(10)20-17(21)13-8-11-6-7-12(23-2)9-16(11)24-18(13)22/h3-9H,1-2H3,(H,20,21)
InChIKeyGTDGARFZPCTYLK-UHFFFAOYSA-N
XLogP4.02
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
N-(2-benzoyl-4-chlorophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 100795259
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
N-[(1S)-1-(4-chlorophenyl)ethyl]-7-methoxy-2-oxochromene-3-carboxamide
CID 100795278
N-(3-chloro-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206624
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide (CID 5262140) is N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)Nc3cccc(Cl)c3C)c(=O)oc2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is GTDGARFZPCTYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-10-14(19)4-3-5-15(10)20-17(21)13-8-11-6-7-12(23-2)9-16(11)24-18(13)22/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide?
N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).