N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride

C13H19ClN6O — CID 120653140

IUPACN-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(-n2cnnn2)c1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-3-14-10(2)8-15-13(20)11-5-4-6-12(7-11)19-9-16-17-18-19;/h4-7,9-10,14H,3,8H2,1-2H3,(H,15,20);1H/t10-;/m1./s1
InChIKeyNCLLVTINMROKNI-HNCPQSOCSA-N
MW310.79 g/mol
LogP0.81
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 120653140) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID120653140
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(-n2cnnn2)c1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-3-14-10(2)8-15-13(20)11-5-4-6-12(7-11)19-9-16-17-18-19;/h4-7,9-10,14H,3,8H2,1-2H3,(H,15,20);1H/t10-;/m1./s1
InChIKeyNCLLVTINMROKNI-HNCPQSOCSA-N
XLogP0.81
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 120650260
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-[(2R)-heptan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 28935486
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 51126901
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 51127257
N-[(2R)-4-phenylbutan-2-yl]-3-(tetrazol-1-yl)benzamide
CID 42535237
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride (CID 120653140) is N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride is CCN[C@H](C)CNC(=O)c1cccc(-n2cnnn2)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is NCLLVTINMROKNI-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H18N6O.ClH/c1-3-14-10(2)8-15-13(20)11-5-4-6-12(7-11)19-9-16-17-18-19;/h4-7,9-10,14H,3,8H2,1-2H3,(H,15,20);1H/t10-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 120653140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).