5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide

C22H18ClN7O3 — CID 55776312

IUPAC5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H18ClN7O3/c1-33-20-12-19(30-13-24-28-29-30)18(23)11-17(20)21(31)25-15-8-5-9-16(10-15)27-22(32)26-14-6-3-2-4-7-14/h2-13H,1H3,(H,25,31)(H2,26,27,32)
InChIKeyRWCOBNFQZRQBDI-UHFFFAOYSA-N
MW463.89 g/mol
LogP4.22
Rot. Bonds6

About 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide

5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 55776312) has the molecular formula C22H18ClN7O3 and a molecular weight of 463.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
PubChem CID55776312
Molecular FormulaC22H18ClN7O3
Molecular Weight463.89 g/mol
Exact Mass463.12
IUPAC Name5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H18ClN7O3/c1-33-20-12-19(30-13-24-28-29-30)18(23)11-17(20)21(31)25-15-8-5-9-16(10-15)27-22(32)26-14-6-3-2-4-7-14/h2-13H,1H3,(H,25,31)(H2,26,27,32)
InChIKeyRWCOBNFQZRQBDI-UHFFFAOYSA-N
XLogP4.22
TPSA123.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.89
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(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

5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
5-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55827929
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55892914
5-chloro-2-methoxy-N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]-4-(tetrazol-1-yl)benzamide
CID 55777597
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
5-chloro-2-methoxy-4-(tetrazol-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 87000680
5-chloro-N-[[2-(methanesulfonamido)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 55776331
4-chloro-2-methoxy-N-[2-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 50820638
4-[5-chloro-2-methoxy-4-(tetrazol-1-yl)benzoyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 55970735
5-chloro-2-methoxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(tetrazol-1-yl)benzamide
CID 55850404
5-chloro-2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 55773010
N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87005767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide (CID 55776312) is 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is RWCOBNFQZRQBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O3/c1-33-20-12-19(30-13-24-28-29-30)18(23)11-17(20)21(31)25-15-8-5-9-16(10-15)27-22(32)26-14-6-3-2-4-7-14/h2-13H,1H3,(H,25,31)(H2,26,27,32).
What are the key properties of 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide?
5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 463.89 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-(phenylcarbamoylamino)phenyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55776312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).