2-(butylamino)-3-phenylbenzamide

C17H20N2O — CID 69189466

IUPAC2-(butylamino)-3-phenylbenzamide
SMILESCCCCNc1c(C(N)=O)cccc1-c1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-3-12-19-16-14(13-8-5-4-6-9-13)10-7-11-15(16)17(18)20/h4-11,19H,2-3,12H2,1H3,(H2,18,20)
InChIKeyHVTXEFMMHVNMJN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds6

About 2-(butylamino)-3-phenylbenzamide

2-(butylamino)-3-phenylbenzamide (PubChem CID 69189466) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(butylamino)-3-phenylbenzamide.

Molecular Properties

Compound Name2-(butylamino)-3-phenylbenzamide
PubChem CID69189466
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(butylamino)-3-phenylbenzamide
SMILESCCCCNc1c(C(N)=O)cccc1-c1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-3-12-19-16-14(13-8-5-4-6-9-13)10-7-11-15(16)17(18)20/h4-11,19H,2-3,12H2,1H3,(H2,18,20)
InChIKeyHVTXEFMMHVNMJN-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-phenylbenzamide
CID 21064565
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579
2-(ethylamino)-N-methyl-3-phenylbenzamide
CID 68748866
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-hydroxy-3-(pentylamino)benzamide
CID 67175041
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
3-[3-(butylamino)-2-methylphenyl]benzamide
CID 68753894
3-(heptylamino)-2-methylbenzamide
CID 43694125
2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide
CID 141058032
4,6-bis[6-(butylamino)-2-pyridinyl]benzene-1,3-dicarboxamide
CID 175740477
butyl 2-(2-butoxycarbonylphenyl)-3-phenylbenzoate
CID 69286308
2-(2-pentylphenyl)benzamide
CID 174986965

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-3-phenylbenzamide?
The IUPAC name of 2-(butylamino)-3-phenylbenzamide (CID 69189466) is 2-(butylamino)-3-phenylbenzamide.
What is the SMILES notation for 2-(butylamino)-3-phenylbenzamide?
The canonical SMILES for 2-(butylamino)-3-phenylbenzamide is CCCCNc1c(C(N)=O)cccc1-c1ccccc1.
What is the InChIKey of 2-(butylamino)-3-phenylbenzamide?
The InChIKey is HVTXEFMMHVNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-3-12-19-16-14(13-8-5-4-6-9-13)10-7-11-15(16)17(18)20/h4-11,19H,2-3,12H2,1H3,(H2,18,20).
What are the key properties of 2-(butylamino)-3-phenylbenzamide?
2-(butylamino)-3-phenylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-3-phenylbenzamide is sourced from PubChem (CID 69189466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).