2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone

C15H19F2NO — CID 60679763

IUPAC2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(F)cc1F)CC1CC1
InChIInChI=1S/C15H19F2NO/c1-2-7-18(9-11-3-4-11)10-15(19)13-6-5-12(16)8-14(13)17/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyJXSHOULVAQTFOM-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.27
Rot. Bonds7

About 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone

2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone (PubChem CID 60679763) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
PubChem CID60679763
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(F)cc1F)CC1CC1
InChIInChI=1S/C15H19F2NO/c1-2-7-18(9-11-3-4-11)10-15(19)13-6-5-12(16)8-14(13)17/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyJXSHOULVAQTFOM-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone (CID 60679763) is 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone is CCCN(CC(=O)c1ccc(F)cc1F)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone?
The InChIKey is JXSHOULVAQTFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-7-18(9-11-3-4-11)10-15(19)13-6-5-12(16)8-14(13)17/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone?
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 60679763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).