N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide

C18H13ClN4O2 — CID 661545

IUPACN-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H13ClN4O2/c1-11-4-6-12(7-5-11)23-21-15-9-13(19)14(10-16(15)22-23)20-18(24)17-3-2-8-25-17/h2-10H,1H3,(H,20,24)
InChIKeyYJNQTXKPYWDWNA-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.23
Rot. Bonds3

About N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide

N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 661545) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID661545
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC NameN-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccco4)cc3n2)cc1
InChIInChI=1S/C18H13ClN4O2/c1-11-4-6-12(7-5-11)23-21-15-9-13(19)14(10-16(15)22-23)20-18(24)17-3-2-8-25-17/h2-10H,1H3,(H,20,24)
InChIKeyYJNQTXKPYWDWNA-UHFFFAOYSA-N
XLogP4.23
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 1278555
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
CID 1397277
N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
CID 50882067
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1016675
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethylbenzamide
CID 19630185
N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197
N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide
CID 4022142
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 661545) is N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide is Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccco4)cc3n2)cc1.
What is the InChIKey of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is YJNQTXKPYWDWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-11-4-6-12(7-5-11)23-21-15-9-13(19)14(10-16(15)22-23)20-18(24)17-3-2-8-25-17/h2-10H,1H3,(H,20,24).
What are the key properties of N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide?
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 661545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).