N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C27H22N2O4 — CID 46553863

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cccc2c1=O
InChIInChI=1S/C27H22N2O4/c1-16-23(30)21-8-5-9-22(25(21)33-24(16)17-6-3-2-4-7-17)27(32)29-19-12-10-18(11-13-19)26(31)28-20-14-15-20/h2-13,20H,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyQFXVZPUNLMTNNK-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.91
Rot. Bonds5

About N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 46553863) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID46553863
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cccc2c1=O
InChIInChI=1S/C27H22N2O4/c1-16-23(30)21-8-5-9-22(25(21)33-24(16)17-6-3-2-4-7-17)27(32)29-19-12-10-18(11-13-19)26(31)28-20-14-15-20/h2-13,20H,14-15H2,1H3,(H,28,31)(H,29,32)
InChIKeyQFXVZPUNLMTNNK-UHFFFAOYSA-N
XLogP4.91
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8701875
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 40946836
tert-butyl 4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]piperidine-1-carboxylate
CID 60560484
3-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 78890315
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 42125425
3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide
CID 55767692
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 9097604
methyl 3-methyl-4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]benzoate
CID 36930589

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 46553863) is N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cccc2c1=O.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is QFXVZPUNLMTNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-16-23(30)21-8-5-9-22(25(21)33-24(16)17-6-3-2-4-7-17)27(32)29-19-12-10-18(11-13-19)26(31)28-20-14-15-20/h2-13,20H,14-15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 46553863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).