2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone

C15H19F2NO — CID 61445644

IUPAC2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCCCCN(CC(=O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H19F2NO/c1-2-3-8-18(12-5-6-12)10-15(19)13-7-4-11(16)9-14(13)17/h4,7,9,12H,2-3,5-6,8,10H2,1H3
InChIKeyGMXVEXOCYAHAOK-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.41
Rot. Bonds7

About 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone

2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone (PubChem CID 61445644) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
PubChem CID61445644
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCCCCN(CC(=O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C15H19F2NO/c1-2-3-8-18(12-5-6-12)10-15(19)13-7-4-11(16)9-14(13)17/h4,7,9,12H,2-3,5-6,8,10H2,1H3
InChIKeyGMXVEXOCYAHAOK-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
2-[butyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62050932
2-[cyclobutyl(3-hydroxypropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 102864457
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 60679763
3-[butyl(cyclopropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 61445346
N-butyl-N-(2,4-difluorobenzoyl)-2,4-difluorobenzamide
CID 91717088
1-(2,4-difluorophenyl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797495
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-[butyl(cyclopropyl)amino]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 61445247
2-[[butyl(cyclopropyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 64763583
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone (CID 61445644) is 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone is CCCCN(CC(=O)c1ccc(F)cc1F)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone?
The InChIKey is GMXVEXOCYAHAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-3-8-18(12-5-6-12)10-15(19)13-7-4-11(16)9-14(13)17/h4,7,9,12H,2-3,5-6,8,10H2,1H3.
What are the key properties of 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone?
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 61445644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).