3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide

C15H12ClN5O — CID 30414116

IUPAC3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClN5O/c1-21-14(18-19-20-21)10-4-3-7-13(9-10)17-15(22)11-5-2-6-12(16)8-11/h2-9H,1H3,(H,17,22)
InChIKeyRKLHDNOFZVTRSM-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.78
Rot. Bonds3

About 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide

3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide (PubChem CID 30414116) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
PubChem CID30414116
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClN5O/c1-21-14(18-19-20-21)10-4-3-7-13(9-10)17-15(22)11-5-2-6-12(16)8-11/h2-9H,1H3,(H,17,22)
InChIKeyRKLHDNOFZVTRSM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide
CID 41357033
2-(3-chlorophenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122962
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26123101
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
4-(difluoromethoxy)-3-methoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41357494
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 41360644
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide (CID 30414116) is 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide is Cn1nnnc1-c1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
The InChIKey is RKLHDNOFZVTRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-21-14(18-19-20-21)10-4-3-7-13(9-10)17-15(22)11-5-2-6-12(16)8-11/h2-9H,1H3,(H,17,22).
What are the key properties of 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide?
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide has a molecular weight of 313.75 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 30414116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).