4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide

C18H10ClN3O4 — CID 23850501

IUPAC4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide
SMILESN#Cc1cc(-c2cccc([N+](=O)[O-])c2)oc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClN3O4/c19-14-6-4-11(5-7-14)17(23)21-18-13(10-20)9-16(26-18)12-2-1-3-15(8-12)22(24)25/h1-9H,(H,21,23)
InChIKeyFLWKSDROMCEFCF-UHFFFAOYSA-N
MW367.75 g/mol
LogP4.63
Rot. Bonds4

About 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide

4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide (PubChem CID 23850501) has the molecular formula C18H10ClN3O4 and a molecular weight of 367.75 g/mol. Its IUPAC name is 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide
PubChem CID23850501
Molecular FormulaC18H10ClN3O4
Molecular Weight367.75 g/mol
Exact Mass367.04
IUPAC Name4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide
SMILESN#Cc1cc(-c2cccc([N+](=O)[O-])c2)oc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H10ClN3O4/c19-14-6-4-11(5-7-14)17(23)21-18-13(10-20)9-16(26-18)12-2-1-3-15(8-12)22(24)25/h1-9H,(H,21,23)
InChIKeyFLWKSDROMCEFCF-UHFFFAOYSA-N
XLogP4.63
TPSA109.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.75
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]-3,4,5-trimethoxybenzamide
CID 23876209
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 23732688
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
2,4-dichloro-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]benzamide
CID 1187146
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-3-nitrobenzamide
CID 4870359
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369
4-chloro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 2797850
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide (CID 23850501) is 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide is N#Cc1cc(-c2cccc([N+](=O)[O-])c2)oc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide?
The InChIKey is FLWKSDROMCEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClN3O4/c19-14-6-4-11(5-7-14)17(23)21-18-13(10-20)9-16(26-18)12-2-1-3-15(8-12)22(24)25/h1-9H,(H,21,23).
What are the key properties of 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide?
4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide has a molecular weight of 367.75 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]benzamide is sourced from PubChem (CID 23850501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).