N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide

C18H19N5O — CID 42535237

IUPACN-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H19N5O/c1-14(10-11-15-6-3-2-4-7-15)20-18(24)16-8-5-9-17(12-16)23-13-19-21-22-23/h2-9,12-14H,10-11H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyOCROFVRTSFQCBX-CQSZACIVSA-N
MW321.38 g/mol
LogP2.41
Rot. Bonds6

About N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide

N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 42535237) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID42535237
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H19N5O/c1-14(10-11-15-6-3-2-4-7-15)20-18(24)16-8-5-9-17(12-16)23-13-19-21-22-23/h2-9,12-14H,10-11H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyOCROFVRTSFQCBX-CQSZACIVSA-N
XLogP2.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide (CID 42535237) is N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide is C[C@H](CCc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is OCROFVRTSFQCBX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14(10-11-15-6-3-2-4-7-15)20-18(24)16-8-5-9-17(12-16)23-13-19-21-22-23/h2-9,12-14H,10-11H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide?
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42535237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).