N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide

C12H14ClN5O — CID 42571405

IUPACN-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
SMILESCC[C@H](C)NC(=O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H14ClN5O/c1-3-8(2)15-12(19)10-6-9(4-5-11(10)13)18-7-14-16-17-18/h4-8H,3H2,1-2H3,(H,15,19)/t8-/m0/s1
InChIKeyQRRSGYZWXMKIQC-QMMMGPOBSA-N
MW279.73 g/mol
LogP1.84
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide

N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide (PubChem CID 42571405) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
PubChem CID42571405
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC NameN-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
SMILESCC[C@H](C)NC(=O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C12H14ClN5O/c1-3-8(2)15-12(19)10-6-9(4-5-11(10)13)18-7-14-16-17-18/h4-8H,3H2,1-2H3,(H,15,19)/t8-/m0/s1
InChIKeyQRRSGYZWXMKIQC-QMMMGPOBSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838819
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 99794196

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide (CID 42571405) is N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide is CC[C@H](C)NC(=O)c1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide?
The InChIKey is QRRSGYZWXMKIQC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-3-8(2)15-12(19)10-6-9(4-5-11(10)13)18-7-14-16-17-18/h4-8H,3H2,1-2H3,(H,15,19)/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide?
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide has a molecular weight of 279.73 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42571405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).