N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide

C16H14ClN5O — CID 9115033

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O/c17-14-5-1-3-12(9-14)7-8-18-16(23)13-4-2-6-15(10-13)22-11-19-20-21-22/h1-6,9-11H,7-8H2,(H,18,23)
InChIKeyUMCYDOSGMDAWNB-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 9115033) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID9115033
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H14ClN5O/c17-14-5-1-3-12(9-14)7-8-18-16(23)13-4-2-6-15(10-13)22-11-19-20-21-22/h1-6,9-11H,7-8H2,(H,18,23)
InChIKeyUMCYDOSGMDAWNB-UHFFFAOYSA-N
XLogP2.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide 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-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(5-chloro-2-tetrazol-1-yl-benzyl)-acetamide
CID 44333061
N1-(5-chloro-2-(1H-tetrazol-1-yl)benzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 51003506
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-[cyclohexyl(methylsulfonyl)amino]-5-methylbenzamide
CID 53326298
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
4-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]benzamide
CID 25166807
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
2-chloro-N-isopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834461

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide (CID 9115033) is N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide is O=C(NCCc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is UMCYDOSGMDAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-14-5-1-3-12(9-14)7-8-18-16(23)13-4-2-6-15(10-13)22-11-19-20-21-22/h1-6,9-11H,7-8H2,(H,18,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 327.78 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 9115033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).