N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide

C21H19ClN4O2 — CID 9203744

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C21H19ClN4O2/c1-3-26-19-10-6-15(12-18(19)23-24-26)21(27)25(2)13-17-9-11-20(28-17)14-4-7-16(22)8-5-14/h4-12H,3,13H2,1-2H3
InChIKeyWMDJJIPNINMTIR-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.64
Rot. Bonds5

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide (PubChem CID 9203744) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
PubChem CID9203744
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)ccc21
InChIInChI=1S/C21H19ClN4O2/c1-3-26-19-10-6-15(12-18(19)23-24-26)21(27)25(2)13-17-9-11-20(28-17)14-4-7-16(22)8-5-14/h4-12H,3,13H2,1-2H3
InChIKeyWMDJJIPNINMTIR-UHFFFAOYSA-N
XLogP4.64
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-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

N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 32760587
1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide
CID 60740881
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31286349
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 46576084
1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 30806374
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27852892
1-ethyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
1-ethyl-N-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzotriazole-5-carboxamide
CID 46296446
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17498389
N-[2-(4-chloroanilino)-2-oxoethyl]-N,1-dimethylbenzotriazole-5-carboxamide
CID 46296374
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide (CID 9203744) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)ccc21.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide?
The InChIKey is WMDJJIPNINMTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-3-26-19-10-6-15(12-18(19)23-24-26)21(27)25(2)13-17-9-11-20(28-17)14-4-7-16(22)8-5-14/h4-12H,3,13H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 9203744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).