N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide

C11H13F2NO — CID 58862460

IUPACN-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-7(2)11(15)14-6-8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyRKZLQBKNEYDQAC-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.24
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide

N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide (PubChem CID 58862460) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
PubChem CID58862460
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO/c1-7(2)11(15)14-6-8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyRKZLQBKNEYDQAC-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
CID 119300582
(3,5-difluorophenyl)methylurea
CID 112708056
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-[(3,5-difluorophenyl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 46599950
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
1-[(3,5-difluorophenyl)methyl]-3-[(4S)-4-hydroxy-2,2-dimethylpentyl]urea
CID 97218930

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide (CID 58862460) is N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is RKZLQBKNEYDQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7(2)11(15)14-6-8-3-9(12)5-10(13)4-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide?
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 213.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 58862460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).