1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one

C15H21F2NO — CID 43795408

IUPAC1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
SMILESCCCN(C(C)C)C(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO/c1-5-8-18(10(2)3)11(4)15(19)13-7-6-12(16)9-14(13)17/h6-7,9-11H,5,8H2,1-4H3
InChIKeySYXKIJNIWPBLAU-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.66
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one

1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one (PubChem CID 43795408) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
PubChem CID43795408
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
SMILESCCCN(C(C)C)C(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H21F2NO/c1-5-8-18(10(2)3)11(4)15(19)13-7-6-12(16)9-14(13)17/h6-7,9-11H,5,8H2,1-4H3
InChIKeySYXKIJNIWPBLAU-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82951646
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
1-(2,4-difluorophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-one
CID 81057731
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
CID 62051545
2-chloro-1-(2,4-difluorophenyl)butan-1-one
CID 130136877
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one (CID 43795408) is 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one is CCCN(C(C)C)C(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one?
The InChIKey is SYXKIJNIWPBLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-5-8-18(10(2)3)11(4)15(19)13-7-6-12(16)9-14(13)17/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one?
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one has a molecular weight of 269.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one is sourced from PubChem (CID 43795408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).