N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide

C15H12ClN5O — CID 50776835

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-n3cnnn3)ccc2Cl)c1
InChIInChI=1S/C15H12ClN5O/c1-10-3-2-4-11(7-10)15(22)18-14-8-12(5-6-13(14)16)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyXJDSCMRPUXWPJY-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.88
Rot. Bonds3

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide (PubChem CID 50776835) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
PubChem CID50776835
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-n3cnnn3)ccc2Cl)c1
InChIInChI=1S/C15H12ClN5O/c1-10-3-2-4-11(7-10)15(22)18-14-8-12(5-6-13(14)16)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyXJDSCMRPUXWPJY-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 61178561
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 61178741
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196426
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide (CID 50776835) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(-n3cnnn3)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide?
The InChIKey is XJDSCMRPUXWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-10-3-2-4-11(7-10)15(22)18-14-8-12(5-6-13(14)16)21-9-17-19-20-21/h2-9H,1H3,(H,18,22).
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide has a molecular weight of 313.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 50776835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).