5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide

C22H19ClN2O3 — CID 59761390

IUPAC5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H19ClN2O3/c1-13-2-3-15(21(26)24-17-8-9-17)12-18(13)25-22(27)20-11-10-19(28-20)14-4-6-16(23)7-5-14/h2-7,10-12,17H,8-9H2,1H3,(H,24,26)(H,25,27)
InChIKeyNGKCBCQGHGQELZ-UHFFFAOYSA-N
MW394.86 g/mol
LogP5.05
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 59761390) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID59761390
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H19ClN2O3/c1-13-2-3-15(21(26)24-17-8-9-17)12-18(13)25-22(27)20-11-10-19(28-20)14-4-6-16(23)7-5-14/h2-7,10-12,17H,8-9H2,1H3,(H,24,26)(H,25,27)
InChIKeyNGKCBCQGHGQELZ-UHFFFAOYSA-N
XLogP5.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.86
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 53358422
(2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648344
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
Furan-2-carboxamide deriv., 13
CID 44236899
5-(2,5-dichlorophenyl)-N-(2,6-diethylphenyl)-2-furancarboxamide
CID 44607580
N-(4-acetamidophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 1090755
5-(4-chlorophenyl)-N-cyclohexyl-2-furamide
CID 18230215
5-(4-chlorophenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-furancarboxamide
CID 1494312
5-(4-chlorophenyl)-N-(2-(piperidin-1-yl)phenyl)furan-2-carboxamide
CID 2026970
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 1314948
2-(4-chlorophenyl)-5-methyl-8-piperazin-1-yl-10H-furo[2,3-c][1]benzazepin-4-one
CID 53251323

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide (CID 59761390) is 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is NGKCBCQGHGQELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-13-2-3-15(21(26)24-17-8-9-17)12-18(13)25-22(27)20-11-10-19(28-20)14-4-6-16(23)7-5-14/h2-7,10-12,17H,8-9H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 59761390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).