ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate

C17H14ClN5O3 — CID 42582252

IUPACethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1
InChIInChI=1S/C17H14ClN5O3/c1-2-26-17(25)11-3-6-13(7-4-11)20-16(24)14-8-5-12(18)9-15(14)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24)
InChIKeyTZKXKGDMZSZZPQ-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.74
Rot. Bonds5

About ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate

ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 42582252) has the molecular formula C17H14ClN5O3 and a molecular weight of 371.78 g/mol. Its IUPAC name is ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID42582252
Molecular FormulaC17H14ClN5O3
Molecular Weight371.78 g/mol
Exact Mass371.08
IUPAC Nameethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1
InChIInChI=1S/C17H14ClN5O3/c1-2-26-17(25)11-3-6-13(7-4-11)20-16(24)14-8-5-12(18)9-15(14)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24)
InChIKeyTZKXKGDMZSZZPQ-UHFFFAOYSA-N
XLogP2.74
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate 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-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845
2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
CID 55673413
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 42582252) is ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)cc1.
What is the InChIKey of ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is TZKXKGDMZSZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O3/c1-2-26-17(25)11-3-6-13(7-4-11)20-16(24)14-8-5-12(18)9-15(14)23-10-19-21-22-23/h3-10H,2H2,1H3,(H,20,24).
What are the key properties of ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate?
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 371.78 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 42582252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).