3-[2-(3,5-difluorophenyl)ethylamino]propanamide

C11H14F2N2O — CID 62605689

IUPAC3-[2-(3,5-difluorophenyl)ethylamino]propanamide
SMILESNC(=O)CCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-5-8(6-10(13)7-9)1-3-15-4-2-11(14)16/h5-7,15H,1-4H2,(H2,14,16)
InChIKeyNMTVBBJNJUDSMU-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.97
Rot. Bonds6

About 3-[2-(3,5-difluorophenyl)ethylamino]propanamide

3-[2-(3,5-difluorophenyl)ethylamino]propanamide (PubChem CID 62605689) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-[2-(3,5-difluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[2-(3,5-difluorophenyl)ethylamino]propanamide
PubChem CID62605689
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3-[2-(3,5-difluorophenyl)ethylamino]propanamide
SMILESNC(=O)CCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-5-8(6-10(13)7-9)1-3-15-4-2-11(14)16/h5-7,15H,1-4H2,(H2,14,16)
InChIKeyNMTVBBJNJUDSMU-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 103249006
methyl 4-[2-(3,5-difluorophenyl)ethylamino]butanoate
CID 62615955
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
CID 104953901
3-[(3-fluoro-5-nitrophenyl)methylamino]propanamide
CID 112646669
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
CID 55093625
N-[2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 64554825
2-(3,5-difluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 62616300
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106400586
(3,5-difluorophenyl)methylurea
CID 112708056

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
The IUPAC name of 3-[2-(3,5-difluorophenyl)ethylamino]propanamide (CID 62605689) is 3-[2-(3,5-difluorophenyl)ethylamino]propanamide.
What is the SMILES notation for 3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
The canonical SMILES for 3-[2-(3,5-difluorophenyl)ethylamino]propanamide is NC(=O)CCNCCc1cc(F)cc(F)c1.
What is the InChIKey of 3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
The InChIKey is NMTVBBJNJUDSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-9-5-8(6-10(13)7-9)1-3-15-4-2-11(14)16/h5-7,15H,1-4H2,(H2,14,16).
What are the key properties of 3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
3-[2-(3,5-difluorophenyl)ethylamino]propanamide has a molecular weight of 228.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-difluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 62605689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).