3-amino-N-(4-phenylbutyl)benzamide;hydrochloride

C17H21ClN2O — CID 19353694

IUPAC3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O.ClH/c18-16-11-6-10-15(13-16)17(20)19-12-5-4-9-14-7-2-1-3-8-14;/h1-3,6-8,10-11,13H,4-5,9,12,18H2,(H,19,20);1H
InChIKeyACWALOBBKZFTPB-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.44
Rot. Bonds6

About 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride

3-amino-N-(4-phenylbutyl)benzamide;hydrochloride (PubChem CID 19353694) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
PubChem CID19353694
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NCCCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O.ClH/c18-16-11-6-10-15(13-16)17(20)19-12-5-4-9-14-7-2-1-3-8-14;/h1-3,6-8,10-11,13H,4-5,9,12,18H2,(H,19,20);1H
InChIKeyACWALOBBKZFTPB-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-amino-N-hexadecylbenzamide;hydrochloride
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4-amino-N-(3-phenylpropyl)benzamide
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3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
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3-amino-N-(3-phenoxypropyl)benzamide
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5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
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3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
3-[(3-aminobenzoyl)amino]-N-[3-[[3-[(3-aminobenzoyl)amino]-5-benzamidobenzoyl]amino]propyl]-5-benzamidobenzamide
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3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride (CID 19353694) is 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride is Cl.Nc1cccc(C(=O)NCCCCc2ccccc2)c1.
What is the InChIKey of 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride?
The InChIKey is ACWALOBBKZFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c18-16-11-6-10-15(13-16)17(20)19-12-5-4-9-14-7-2-1-3-8-14;/h1-3,6-8,10-11,13H,4-5,9,12,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride?
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-phenylbutyl)benzamide;hydrochloride is sourced from PubChem (CID 19353694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).