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

C15H21N5O — CID 28935486

IUPACN-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCCCCC[C@@H](C)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H21N5O/c1-3-4-5-7-12(2)17-15(21)13-8-6-9-14(10-13)20-11-16-18-19-20/h6,8-12H,3-5,7H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyWHZKQLXCKWOXES-GFCCVEGCSA-N
MW287.37 g/mol
LogP2.36
Rot. Bonds7

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

N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide (PubChem CID 28935486) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
PubChem CID28935486
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
SMILESCCCCC[C@@H](C)NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H21N5O/c1-3-4-5-7-12(2)17-15(21)13-8-6-9-14(10-13)20-11-16-18-19-20/h6,8-12H,3-5,7H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyWHZKQLXCKWOXES-GFCCVEGCSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
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-[(2R)-heptan-2-yl]-3-(5-methyltetrazol-1-yl)benzamide
CID 95391453
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
N-[1-[4-(propanoylamino)phenyl]ethyl]-3-(tetrazol-1-yl)benzamide
CID 46436898
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 26209796
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide (CID 28935486) is N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide is CCCCC[C@@H](C)NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is WHZKQLXCKWOXES-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-4-5-7-12(2)17-15(21)13-8-6-9-14(10-13)20-11-16-18-19-20/h6,8-12H,3-5,7H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide?
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 287.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 28935486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).