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

C17H17N5O — CID 93240510

IUPACN-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
SMILESC[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1
InChIInChI=1S/C17H17N5O/c1-13(14-6-3-2-4-7-14)11-18-17(23)15-8-5-9-16(10-15)22-12-19-20-21-22/h2-10,12-13H,11H2,1H3,(H,18,23)/t13-/m0/s1
InChIKeyTYUVQSSBIKHVML-ZDUSSCGKSA-N
MW307.36 g/mol
LogP2.20
Rot. Bonds5

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

N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 93240510) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
PubChem CID93240510
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
SMILESC[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1
InChIInChI=1S/C17H17N5O/c1-13(14-6-3-2-4-7-14)11-18-17(23)15-8-5-9-16(10-15)22-12-19-20-21-22/h2-10,12-13H,11H2,1H3,(H,18,23)/t13-/m0/s1
InChIKeyTYUVQSSBIKHVML-ZDUSSCGKSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 51127257
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 51126901

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide (CID 93240510) is N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide is C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is TYUVQSSBIKHVML-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13(14-6-3-2-4-7-14)11-18-17(23)15-8-5-9-16(10-15)22-12-19-20-21-22/h2-10,12-13H,11H2,1H3,(H,18,23)/t13-/m0/s1.
What are the key properties of N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide?
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 93240510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).