2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide

C18H19ClF2N2O — CID 112841221

IUPAC2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide
SMILESCCC(NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF2N2O/c1-2-17(13-3-5-14(19)6-4-13)22-11-18(24)23-10-12-7-15(20)9-16(21)8-12/h3-9,17,22H,2,10-11H2,1H3,(H,23,24)
InChIKeyLYYYOLISJZQUMT-UHFFFAOYSA-N
MW352.81 g/mol
LogP3.98
Rot. Bonds7

About 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide

2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide (PubChem CID 112841221) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide
PubChem CID112841221
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC Name2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide
SMILESCCC(NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClF2N2O/c1-2-17(13-3-5-14(19)6-4-13)22-11-18(24)23-10-12-7-15(20)9-16(21)8-12/h3-9,17,22H,2,10-11H2,1H3,(H,23,24)
InChIKeyLYYYOLISJZQUMT-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
CID 112809099
N-[(3,5-difluorophenyl)methyl]-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 112840376
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
(2S,3S)-2-[[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100152
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(1S)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide (CID 112841221) is 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide is CCC(NCC(=O)NCc1cc(F)cc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide?
The InChIKey is LYYYOLISJZQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O/c1-2-17(13-3-5-14(19)6-4-13)22-11-18(24)23-10-12-7-15(20)9-16(21)8-12/h3-9,17,22H,2,10-11H2,1H3,(H,23,24).
What are the key properties of 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide?
2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide has a molecular weight of 352.81 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide is sourced from PubChem (CID 112841221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).