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

C18H18ClN5O — CID 42569153

IUPAC2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C18H18ClN5O/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)16-11-15(9-10-17(16)19)24-12-20-22-23-24/h2-6,9-13H,7-8H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyMUGZLYWFHHPHMI-ZDUSSCGKSA-N
MW355.83 g/mol
LogP3.07
Rot. Bonds6

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

2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide (PubChem CID 42569153) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
PubChem CID42569153
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C18H18ClN5O/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)16-11-15(9-10-17(16)19)24-12-20-22-23-24/h2-6,9-13H,7-8H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyMUGZLYWFHHPHMI-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

N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide (CID 42569153) is 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide is C[C@@H](CCc1ccccc1)NC(=O)c1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide?
The InChIKey is MUGZLYWFHHPHMI-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(9-10-17(16)19)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 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide?
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(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 2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42569153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).