2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide

C14H9Cl2N5O — CID 26729277

IUPAC2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-12-3-1-2-11(13(12)16)14(22)18-9-4-6-10(7-5-9)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyKAKRBNZNIZQGJC-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.22
Rot. Bonds3

About 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide

2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 26729277) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID26729277
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC Name2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-12-3-1-2-11(13(12)16)14(22)18-9-4-6-10(7-5-9)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyKAKRBNZNIZQGJC-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea
CID 55695253
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 7930073
N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide
CID 28934869
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
2,3-dichloro-N-phenylbenzamide
CID 7732866
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 9450875
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 17422807

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 26729277) is 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is KAKRBNZNIZQGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-12-3-1-2-11(13(12)16)14(22)18-9-4-6-10(7-5-9)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 26729277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).