N-(3-chloro-4-cyanophenyl)furan-3-carboxamide

C12H7ClN2O2 — CID 27033866

IUPACN-(3-chloro-4-cyanophenyl)furan-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccoc2)cc1Cl
InChIInChI=1S/C12H7ClN2O2/c13-11-5-10(2-1-8(11)6-14)15-12(16)9-3-4-17-7-9/h1-5,7H,(H,15,16)
InChIKeyOQPYCESXOYXJHB-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.06
Rot. Bonds2

About N-(3-chloro-4-cyanophenyl)furan-3-carboxamide

N-(3-chloro-4-cyanophenyl)furan-3-carboxamide (PubChem CID 27033866) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)furan-3-carboxamide
PubChem CID27033866
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC NameN-(3-chloro-4-cyanophenyl)furan-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccoc2)cc1Cl
InChIInChI=1S/C12H7ClN2O2/c13-11-5-10(2-1-8(11)6-14)15-12(16)9-3-4-17-7-9/h1-5,7H,(H,15,16)
InChIKeyOQPYCESXOYXJHB-UHFFFAOYSA-N
XLogP3.06
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] furan-3-carboxylate
CID 26985754
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
5-[(3-chloro-4-cyanophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607066
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 78780293
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
4-bromo-N-(3-chloro-4-cyanophenyl)-3,5-dimethoxybenzamide
CID 26702751
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)furan-3-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)furan-3-carboxamide (CID 27033866) is N-(3-chloro-4-cyanophenyl)furan-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)furan-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)furan-3-carboxamide is N#Cc1ccc(NC(=O)c2ccoc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)furan-3-carboxamide?
The InChIKey is OQPYCESXOYXJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-11-5-10(2-1-8(11)6-14)15-12(16)9-3-4-17-7-9/h1-5,7H,(H,15,16).
What are the key properties of N-(3-chloro-4-cyanophenyl)furan-3-carboxamide?
N-(3-chloro-4-cyanophenyl)furan-3-carboxamide has a molecular weight of 246.65 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)furan-3-carboxamide is sourced from PubChem (CID 27033866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).