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

C15H21N5O — CID 28934979

IUPACN-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCCCCC[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H21N5O/c1-3-4-5-6-12(2)17-15(21)13-7-9-14(10-8-13)20-11-16-18-19-20/h7-12H,3-6H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyNGFJJKGQXBXGAO-GFCCVEGCSA-N
MW287.37 g/mol
LogP2.36
Rot. Bonds7

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

N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide (PubChem CID 28934979) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
PubChem CID28934979
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
SMILESCCCCC[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H21N5O/c1-3-4-5-6-12(2)17-15(21)13-7-9-14(10-8-13)20-11-16-18-19-20/h7-12H,3-6H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyNGFJJKGQXBXGAO-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'}

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Related Compounds

N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 50950440
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide (CID 28934979) is N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide is CCCCC[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is NGFJJKGQXBXGAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-4-5-6-12(2)17-15(21)13-7-9-14(10-8-13)20-11-16-18-19-20/h7-12H,3-6H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide?
N-[(2R)-heptan-2-yl]-4-(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]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 28934979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).