5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide

C21H17ClN2O3 — CID 25276463

IUPAC5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H17ClN2O3/c22-17-4-2-1-3-16(17)18-11-12-19(27-18)21(26)24-15-9-7-14(8-10-15)23-20(25)13-5-6-13/h1-4,7-13H,5-6H2,(H,23,25)(H,24,26)
InChIKeyMTZJMZJZIMBOMW-UHFFFAOYSA-N
MW380.83 g/mol
LogP5.20
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide (PubChem CID 25276463) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
PubChem CID25276463
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H17ClN2O3/c22-17-4-2-1-3-16(17)18-11-12-19(27-18)21(26)24-15-9-7-14(8-10-15)23-20(25)13-5-6-13/h1-4,7-13H,5-6H2,(H,23,25)(H,24,26)
InChIKeyMTZJMZJZIMBOMW-UHFFFAOYSA-N
XLogP5.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N'-(cyclohexanecarbonyl)furan-2-carbohydrazide
CID 9086350
N-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)furan-2-carboxamide
CID 8869966
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 24682818
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
5-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)furan-2-carboxamide
CID 86872698
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
5-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 10668776
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
CID 5070053
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide (CID 25276463) is 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is MTZJMZJZIMBOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-17-4-2-1-3-16(17)18-11-12-19(27-18)21(26)24-15-9-7-14(8-10-15)23-20(25)13-5-6-13/h1-4,7-13H,5-6H2,(H,23,25)(H,24,26).
What are the key properties of 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 25276463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).