methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate

C17H15N5O4 — CID 1140637

IUPACmethyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1
InChIInChI=1S/C17H15N5O4/c1-25-15-9-12(5-8-14(15)22-10-18-20-21-22)16(23)19-13-6-3-11(4-7-13)17(24)26-2/h3-10H,1-2H3,(H,19,23)
InChIKeyQXXSSSDKXJIHQS-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.71
Rot. Bonds5

About methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate

methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 1140637) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
PubChem CID1140637
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Namemethyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1
InChIInChI=1S/C17H15N5O4/c1-25-15-9-12(5-8-14(15)22-10-18-20-21-22)16(23)19-13-6-3-11(4-7-13)17(24)26-2/h3-10H,1-2H3,(H,19,23)
InChIKeyQXXSSSDKXJIHQS-UHFFFAOYSA-N
XLogP1.71
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[3-methoxy-4-(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

methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 167978131
methyl 4-methyl-3-[[3-methyl-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 55616965
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate (CID 1140637) is methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is QXXSSSDKXJIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-25-15-9-12(5-8-14(15)22-10-18-20-21-22)16(23)19-13-6-3-11(4-7-13)17(24)26-2/h3-10H,1-2H3,(H,19,23).
What are the key properties of methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate?
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 353.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 1140637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).