3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide

C14H20F2N2O — CID 112700113

IUPAC3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)18-14(19)4-5-17-10(3)11-6-12(15)8-13(16)7-11/h6-10,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyLZDRIICZMDLPRN-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.53
Rot. Bonds6

About 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide

3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 112700113) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID112700113
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(C)c1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(2)18-14(19)4-5-17-10(3)11-6-12(15)8-13(16)7-11/h6-10,17H,4-5H2,1-3H3,(H,18,19)
InChIKeyLZDRIICZMDLPRN-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
N-[1-(3,5-difluorophenyl)ethyl]pentanamide
CID 141128991
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347490
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
N-butan-2-yl-3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propanamide
CID 61022683

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide (CID 112700113) is 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC(C)c1cc(F)cc(F)c1.
What is the InChIKey of 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is LZDRIICZMDLPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(2)18-14(19)4-5-17-10(3)11-6-12(15)8-13(16)7-11/h6-10,17H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide?
3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 270.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 112700113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).