5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide

C18H18ClN5O — CID 39894608

IUPAC5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C18H18ClN5O/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)16-11-15(19)9-10-17(16)24-12-20-22-23-24/h2-6,9-13H,7-8H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyJTUBRILLIDMKCQ-ZDUSSCGKSA-N
MW355.83 g/mol
LogP3.07
Rot. Bonds6

About 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide

5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 39894608) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID39894608
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C18H18ClN5O/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)16-11-15(19)9-10-17(16)24-12-20-22-23-24/h2-6,9-13H,7-8H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyJTUBRILLIDMKCQ-ZDUSSCGKSA-N
XLogP3.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
(2R)-2-amino-N-[(2S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylamino]-1-oxopropan-2-yl]-4-phenylbutanamide
CID 147930560
(2S)-2-[[2-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694899
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
(3S)-N'-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-2-(2-phenylethyl)butanediamide
CID 153286727
5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 844836
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide (CID 39894608) is 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is JTUBRILLIDMKCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)16-11-15(19)9-10-17(16)24-12-20-22-23-24/h2-6,9-13H,7-8H2,1H3,(H,21,25)/t13-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide?
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39894608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).