N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide

C17H12N2O5 — CID 4914940

IUPACN-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide
SMILESCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1
InChIInChI=1S/C17H12N2O5/c1-18(12-5-3-2-4-6-12)16(20)14-10-11-9-13(19(22)23)7-8-15(11)24-17(14)21/h2-10H,1H3
InChIKeyVFVBLWQUQGKYRX-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.98
Rot. Bonds3

About N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide

N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 4914940) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID4914940
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC NameN-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide
SMILESCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1
InChIInChI=1S/C17H12N2O5/c1-18(12-5-3-2-4-6-12)16(20)14-10-11-9-13(19(22)23)7-8-15(11)24-17(14)21/h2-10H,1H3
InChIKeyVFVBLWQUQGKYRX-UHFFFAOYSA-N
XLogP2.98
TPSA93.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
6-nitro-2-oxochromene-3-carbonyl chloride
CID 12764546
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
3-(4-benzhydrylpiperazine-1-carbonyl)-6-nitrochromen-2-one
CID 34116911
N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 792576
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-6-nitrochromen-2-one
CID 892411
[1-(6-nitro-2-oxochromen-3-yl)ethylideneamino]thiourea
CID 4033576
N-(cyclohexylmethyl)-6-nitro-2-oxochromene-3-carboxamide
CID 22299683
N-(2,4-dimethylphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 712627
3-(benzenesulfonyl)-6-nitrochromen-2-one
CID 2134713
4-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 6971912
2-[(6-methoxy-2-oxochromene-3-carbonyl)-methylamino]benzoic acid
CID 21235325

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide (CID 4914940) is N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide is CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1.
What is the InChIKey of N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is VFVBLWQUQGKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c1-18(12-5-3-2-4-6-12)16(20)14-10-11-9-13(19(22)23)7-8-15(11)24-17(14)21/h2-10H,1H3.
What are the key properties of N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 324.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 4914940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).