2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide

C12H14ClN5O — CID 42582450

IUPAC2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
SMILESCC(C)CNC(=O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H14ClN5O/c1-8(2)6-14-12(19)10-5-9(3-4-11(10)13)18-7-15-16-17-18/h3-5,7-8H,6H2,1-2H3,(H,14,19)
InChIKeyUQEDENZROVCIIA-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.70
Rot. Bonds4

About 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide

2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 42582450) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
PubChem CID42582450
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
SMILESCC(C)CNC(=O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H14ClN5O/c1-8(2)6-14-12(19)10-5-9(3-4-11(10)13)18-7-15-16-17-18/h3-5,7-8H,6H2,1-2H3,(H,14,19)
InChIKeyUQEDENZROVCIIA-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 99794196
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196426
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide
CID 28934869
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide (CID 42582450) is 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide is CC(C)CNC(=O)c1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is UQEDENZROVCIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-8(2)6-14-12(19)10-5-9(3-4-11(10)13)18-7-15-16-17-18/h3-5,7-8H,6H2,1-2H3,(H,14,19).
What are the key properties of 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide?
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 279.73 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42582450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).