3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide

C14H20F2N2O — CID 81075854

IUPAC3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide
SMILESCCC(CN)CC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-10(8-17)6-14(19)18-9(2)12-5-4-11(15)7-13(12)16/h4-5,7,9-10H,3,6,8,17H2,1-2H3,(H,18,19)
InChIKeyZVOMYBHWYLGZDX-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.52
Rot. Bonds6

About 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide

3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide (PubChem CID 81075854) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide
PubChem CID81075854
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide
SMILESCCC(CN)CC(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-3-10(8-17)6-14(19)18-9(2)12-5-4-11(15)7-13(12)16/h4-5,7,9-10H,3,6,8,17H2,1-2H3,(H,18,19)
InChIKeyZVOMYBHWYLGZDX-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide
CID 81087802
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 94081336
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 31675054
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide (CID 81075854) is 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide is CCC(CN)CC(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide?
The InChIKey is ZVOMYBHWYLGZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-10(8-17)6-14(19)18-9(2)12-5-4-11(15)7-13(12)16/h4-5,7,9-10H,3,6,8,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide?
3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide has a molecular weight of 270.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]pentanamide is sourced from PubChem (CID 81075854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).