2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide

C12H14ClN5O — CID 954521

IUPAC2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H14ClN5O/c1-3-6-18-12(15-16-17-18)14-11(19)9-5-4-8(2)7-10(9)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19)
InChIKeyIWVHKAWULZFAOL-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.30
Rot. Bonds4

About 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide

2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide (PubChem CID 954521) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide
PubChem CID954521
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnnc1NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H14ClN5O/c1-3-6-18-12(15-16-17-18)14-11(19)9-5-4-8(2)7-10(9)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19)
InChIKeyIWVHKAWULZFAOL-UHFFFAOYSA-N
XLogP2.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 807494
2-chloro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893153
2-Chloro-N-(1-methyl-1H-tetrazol-5-yl)-benzamide
CID 5076145
2-chloro-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 885905
2,5-dichloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 935984
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
CID 892383
2,5-dichloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936202
2-chloro-N-(5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzamide
CID 135513634
3-Chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 965794
3-Chloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 956334
3-chloro-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide (CID 954521) is 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide is CCCn1nnnc1NC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide?
The InChIKey is IWVHKAWULZFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-3-6-18-12(15-16-17-18)14-11(19)9-5-4-8(2)7-10(9)13/h4-5,7H,3,6H2,1-2H3,(H,14,15,17,19).
What are the key properties of 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide?
2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide has a molecular weight of 279.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(1-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 954521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).