2-amino-N-(4-pentylphenyl)benzamide

C18H22N2O — CID 16768967

IUPAC2-amino-N-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-4-7-14-10-12-15(13-11-14)20-18(21)16-8-5-6-9-17(16)19/h5-6,8-13H,2-4,7,19H2,1H3,(H,20,21)
InChIKeyBUQSUTTVYWOBFO-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.25
Rot. Bonds6

About 2-amino-N-(4-pentylphenyl)benzamide

2-amino-N-(4-pentylphenyl)benzamide (PubChem CID 16768967) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-N-(4-pentylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(4-pentylphenyl)benzamide
PubChem CID16768967
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-amino-N-(4-pentylphenyl)benzamide
SMILESCCCCCc1ccc(NC(=O)c2ccccc2N)cc1
InChIInChI=1S/C18H22N2O/c1-2-3-4-7-14-10-12-15(13-11-14)20-18(21)16-8-5-6-9-17(16)19/h5-6,8-13H,2-4,7,19H2,1H3,(H,20,21)
InChIKeyBUQSUTTVYWOBFO-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.25
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

N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
3-amino-N-(4-heptylphenyl)-2-hydroxy-5-methylbenzamide
CID 142869631
N-(4-butylphenyl)-2-methylsulfanylbenzamide
CID 2228351
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
1-[2-(4-pentylanilino)phenyl]ethanone
CID 155289993
methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-pentylphenyl)benzamide?
The IUPAC name of 2-amino-N-(4-pentylphenyl)benzamide (CID 16768967) is 2-amino-N-(4-pentylphenyl)benzamide.
What is the SMILES notation for 2-amino-N-(4-pentylphenyl)benzamide?
The canonical SMILES for 2-amino-N-(4-pentylphenyl)benzamide is CCCCCc1ccc(NC(=O)c2ccccc2N)cc1.
What is the InChIKey of 2-amino-N-(4-pentylphenyl)benzamide?
The InChIKey is BUQSUTTVYWOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-3-4-7-14-10-12-15(13-11-14)20-18(21)16-8-5-6-9-17(16)19/h5-6,8-13H,2-4,7,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(4-pentylphenyl)benzamide?
2-amino-N-(4-pentylphenyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-pentylphenyl)benzamide is sourced from PubChem (CID 16768967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).