N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide

C11H12ClF2NO — CID 103514771

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(F)F
InChIInChI=1S/C11H12ClF2NO/c1-2-15(11(16)10(13)14)7-8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3
InChIKeyMDSFFGRYGAVCTB-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.95
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide

N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide (PubChem CID 103514771) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
PubChem CID103514771
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(F)F
InChIInChI=1S/C11H12ClF2NO/c1-2-15(11(16)10(13)14)7-8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3
InChIKeyMDSFFGRYGAVCTB-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 119722974
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylsulfanylbutanamide
CID 104907715
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide (CID 103514771) is N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide is CCN(Cc1cccc(Cl)c1)C(=O)C(F)F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide?
The InChIKey is MDSFFGRYGAVCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-2-15(11(16)10(13)14)7-8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide has a molecular weight of 247.67 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide is sourced from PubChem (CID 103514771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).