1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one

C17H18FNO — CID 94281167

IUPAC1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccccc2F)cc1C
InChIInChI=1S/C17H18FNO/c1-12-7-8-14(11-13(12)2)17(20)9-10-19-16-6-4-3-5-15(16)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyUTCBXGJVKORLPA-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.13
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one

1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one (PubChem CID 94281167) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
PubChem CID94281167
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccccc2F)cc1C
InChIInChI=1S/C17H18FNO/c1-12-7-8-14(11-13(12)2)17(20)9-10-19-16-6-4-3-5-15(16)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyUTCBXGJVKORLPA-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-4-methylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 96668427
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
N-(2,4-dimethylphenyl)-3-(2-fluoroanilino)propanamide
CID 109035088
CID 56652210
CID 56652210
tert-butyl 3-(2-fluoroanilino)propanoate
CID 19023587
1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol
CID 82121199
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one (CID 94281167) is 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one is Cc1ccc(C(=O)CCNc2ccccc2F)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one?
The InChIKey is UTCBXGJVKORLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-7-8-14(11-13(12)2)17(20)9-10-19-16-6-4-3-5-15(16)18/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one?
1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one has a molecular weight of 271.33 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one is sourced from PubChem (CID 94281167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).