2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide

C12H16F2N2O — CID 54872566

IUPAC2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C(C)N
InChIInChI=1S/C12H16F2N2O/c1-3-16(12(17)8(2)15)7-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7,15H2,1-2H3
InChIKeyJDMAWZSFDLRGRS-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.66
Rot. Bonds4

About 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide

2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide (PubChem CID 54872566) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
PubChem CID54872566
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C(C)N
InChIInChI=1S/C12H16F2N2O/c1-3-16(12(17)8(2)15)7-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7,15H2,1-2H3
InChIKeyJDMAWZSFDLRGRS-UHFFFAOYSA-N
XLogP1.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071463
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 54872580
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
2,2,2-trifluoroethyl N-[(3,4-difluorophenyl)methyl]-N-ethylcarbamate
CID 61066669
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
CID 79204676
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
3-[(3,4-difluorophenyl)methyl-ethylamino]butanoic acid
CID 65060898

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide?
The IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide (CID 54872566) is 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide.
What is the SMILES notation for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide?
The canonical SMILES for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide is CCN(Cc1ccc(F)c(F)c1)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide?
The InChIKey is JDMAWZSFDLRGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-16(12(17)8(2)15)7-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7,15H2,1-2H3.
What are the key properties of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide?
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide has a molecular weight of 242.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide is sourced from PubChem (CID 54872566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).