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

C18H14ClNO3 — CID 18112537

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H14ClNO3/c1-20(11-12-5-4-7-14(19)9-12)17(21)15-10-13-6-2-3-8-16(13)23-18(15)22/h2-10H,11H2,1H3
InChIKeyDCJWIHOAZOHORZ-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.72
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 18112537) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
PubChem CID18112537
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H14ClNO3/c1-20(11-12-5-4-7-14(19)9-12)17(21)15-10-13-6-2-3-8-16(13)23-18(15)22/h2-10H,11H2,1H3
InChIKeyDCJWIHOAZOHORZ-UHFFFAOYSA-N
XLogP3.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-[(3-chlorophenyl)methyl]-N-[4-(methylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 175469924
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 171908393
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18267904
N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 17013155
N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]-2-oxochromene-3-carboxamide
CID 169091744
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 8642896
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2356268

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide (CID 18112537) is N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is DCJWIHOAZOHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-20(11-12-5-4-7-14(19)9-12)17(21)15-10-13-6-2-3-8-16(13)23-18(15)22/h2-10H,11H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 18112537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).