1-[2-(4-pentylanilino)phenyl]ethanone

C19H23NO — CID 155289993

IUPAC1-[2-(4-pentylanilino)phenyl]ethanone
SMILESCCCCCc1ccc(Nc2ccccc2C(C)=O)cc1
InChIInChI=1S/C19H23NO/c1-3-4-5-8-16-11-13-17(14-12-16)20-19-10-7-6-9-18(19)15(2)21/h6-7,9-14,20H,3-5,8H2,1-2H3
InChIKeyYMAFGXNTKPCOPD-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.37
Rot. Bonds7

About 1-[2-(4-pentylanilino)phenyl]ethanone

1-[2-(4-pentylanilino)phenyl]ethanone (PubChem CID 155289993) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(4-pentylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-pentylanilino)phenyl]ethanone
PubChem CID155289993
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[2-(4-pentylanilino)phenyl]ethanone
SMILESCCCCCc1ccc(Nc2ccccc2C(C)=O)cc1
InChIInChI=1S/C19H23NO/c1-3-4-5-8-16-11-13-17(14-12-16)20-19-10-7-6-9-18(19)15(2)21/h6-7,9-14,20H,3-5,8H2,1-2H3
InChIKeyYMAFGXNTKPCOPD-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-decylanilino)benzoic acid
CID 44539112
2-(4-butylanilino)benzenecarbothioamide
CID 43378508
2-[2-(4-butylanilino)phenyl]acetic acid
CID 18546340
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036
2-[(2-anilino-4-pentylbenzoyl)amino]benzoic acid
CID 139801198
1-[2-amino-4-(4-butylanilino)phenyl]ethanone
CID 104528379
1-[2-(pyridin-4-ylamino)phenyl]ethanone
CID 82536637
2-(4-ethylanilino)benzamide
CID 177472959
(2-acetylphenyl) 4-heptylbenzoate
CID 11724708
1,8-bis(4-dodecylanilino)anthracene-9,10-dione
CID 5463778
2-(3-butylanilino)benzoic acid
CID 86186147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-pentylanilino)phenyl]ethanone?
The IUPAC name of 1-[2-(4-pentylanilino)phenyl]ethanone (CID 155289993) is 1-[2-(4-pentylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-pentylanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-pentylanilino)phenyl]ethanone is CCCCCc1ccc(Nc2ccccc2C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-pentylanilino)phenyl]ethanone?
The InChIKey is YMAFGXNTKPCOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-4-5-8-16-11-13-17(14-12-16)20-19-10-7-6-9-18(19)15(2)21/h6-7,9-14,20H,3-5,8H2,1-2H3.
What are the key properties of 1-[2-(4-pentylanilino)phenyl]ethanone?
1-[2-(4-pentylanilino)phenyl]ethanone has a molecular weight of 281.40 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-pentylanilino)phenyl]ethanone is sourced from PubChem (CID 155289993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).