N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide

C13H9ClN4O2 — CID 50882067

IUPACN-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1Cl)c1ccco1
InChIInChI=1S/C13H9ClN4O2/c14-10-6-9(18-7-15-16-8-18)3-4-11(10)17-13(19)12-2-1-5-20-12/h1-8H,(H,17,19)
InChIKeyCQTHOFGUGYIMOF-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.77
Rot. Bonds3

About N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide

N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 50882067) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID50882067
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC NameN-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1Cl)c1ccco1
InChIInChI=1S/C13H9ClN4O2/c14-10-6-9(18-7-15-16-8-18)3-4-11(10)17-13(19)12-2-1-5-20-12/h1-8H,(H,17,19)
InChIKeyCQTHOFGUGYIMOF-UHFFFAOYSA-N
XLogP2.77
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]phenyl]furan-2-carboxamide
CID 1136457
N-[2-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]furan-2-carboxamide
CID 2906713
N-[2-chloro-4-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]furan-2-carboxamide
CID 23306451
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 661545
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
CID 91678008
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3519498
N-[3-chloro-4-(furan-2-carbonylamino)phenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 60545586
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide (CID 50882067) is N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-n2cnnc2)cc1Cl)c1ccco1.
What is the InChIKey of N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is CQTHOFGUGYIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c14-10-6-9(18-7-15-16-8-18)3-4-11(10)17-13(19)12-2-1-5-20-12/h1-8H,(H,17,19).
What are the key properties of N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide?
N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 288.69 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 50882067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).