N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide

C18H14ClNO5 — CID 1243980

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc3ccccc3oc2=O)cc1Cl
InChIInChI=1S/C18H14ClNO5/c1-23-15-9-16(24-2)13(8-12(15)19)20-17(21)11-7-10-5-3-4-6-14(10)25-18(11)22/h3-9H,1-2H3,(H,20,21)
InChIKeyKDVOABDWEZRGSX-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.72
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 1243980) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID1243980
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc3ccccc3oc2=O)cc1Cl
InChIInChI=1S/C18H14ClNO5/c1-23-15-9-16(24-2)13(8-12(15)19)20-17(21)11-7-10-5-3-4-6-14(10)25-18(11)22/h3-9H,1-2H3,(H,20,21)
InChIKeyKDVOABDWEZRGSX-UHFFFAOYSA-N
XLogP3.72
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
N-(2,4-dimethoxy-3-methylphenyl)-2-oxochromene-3-carboxamide
CID 110792977
sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate
CID 23668732
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7590071
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide (CID 1243980) is N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide is COc1cc(OC)c(NC(=O)c2cc3ccccc3oc2=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is KDVOABDWEZRGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-23-15-9-16(24-2)13(8-12(15)19)20-17(21)11-7-10-5-3-4-6-14(10)25-18(11)22/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 359.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1243980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).