N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide

C17H11ClN4O2 — CID 711731

IUPACN-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccco1
InChIInChI=1S/C17H11ClN4O2/c18-11-3-1-4-13(9-11)22-20-14-7-6-12(10-15(14)21-22)19-17(23)16-5-2-8-24-16/h1-10H,(H,19,23)
InChIKeyQGRRJCHJLVRZER-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.92
Rot. Bonds3

About N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide

N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 711731) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID711731
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccco1
InChIInChI=1S/C17H11ClN4O2/c18-11-3-1-4-13(9-11)22-20-14-7-6-12(10-15(14)21-22)19-17(23)16-5-2-8-24-16/h1-10H,(H,19,23)
InChIKeyQGRRJCHJLVRZER-UHFFFAOYSA-N
XLogP3.92
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
5-(3-Chlorophenyl)-N-(2-phenyl-2H-1,2,3-benzotriazol-5-YL)furan-2-carboxamide
CID 15991141
N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]furan-2-carboxamide
CID 661545
3-Furan-2-yl-N-(2-phenyl-2H-benzotriazol-5-yl)-acrylamide
CID 727009
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)furan-2-carboxamide
CID 851527
5-(3-chlorophenyl)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 1216011
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2034766
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 738661
N-[2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 15991064
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]furan-2-carboxamide
CID 2210558
5-bromo-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 1363275

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 711731) is N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccco1.
What is the InChIKey of N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is QGRRJCHJLVRZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c18-11-3-1-4-13(9-11)22-20-14-7-6-12(10-15(14)21-22)19-17(23)16-5-2-8-24-16/h1-10H,(H,19,23).
What are the key properties of N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 338.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 711731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).