N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide

C18H14ClNO4 — CID 51998294

IUPACN-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NCc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C18H14ClNO4/c1-23-13-5-6-14-15(21)9-17(24-16(14)8-13)18(22)20-10-11-3-2-4-12(19)7-11/h2-9H,10H2,1H3,(H,20,22)
InChIKeyWVMSZSFCAUSFRC-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.38
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide

N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 51998294) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID51998294
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NCc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C18H14ClNO4/c1-23-13-5-6-14-15(21)9-17(24-16(14)8-13)18(22)20-10-11-3-2-4-12(19)7-11/h2-9H,10H2,1H3,(H,20,22)
InChIKeyWVMSZSFCAUSFRC-UHFFFAOYSA-N
XLogP3.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
N-benzyl-6-chloro-7-methyl-4-oxochromene-2-carboxamide
CID 35141061
4-[[3-[(3-chlorophenyl)methylcarbamoyl]-7-methoxychromen-2-ylidene]amino]benzoic acid
CID 4072899
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
CID 51998327

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide (CID 51998294) is N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NCc3cccc(Cl)c3)oc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is WVMSZSFCAUSFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-23-13-5-6-14-15(21)9-17(24-16(14)8-13)18(22)20-10-11-3-2-4-12(19)7-11/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide?
N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51998294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).