N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide

C11H14F2N2O — CID 103515923

IUPACN-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
SMILESCc1ccc(NC(=O)C(F)F)cc1N(C)C
InChIInChI=1S/C11H14F2N2O/c1-7-4-5-8(6-9(7)15(2)3)14-11(16)10(12)13/h4-6,10H,1-3H3,(H,14,16)
InChIKeyXYIRXWSEEFUDBM-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide

N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide (PubChem CID 103515923) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
PubChem CID103515923
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
SMILESCc1ccc(NC(=O)C(F)F)cc1N(C)C
InChIInChI=1S/C11H14F2N2O/c1-7-4-5-8(6-9(7)15(2)3)14-11(16)10(12)13/h4-6,10H,1-3H3,(H,14,16)
InChIKeyXYIRXWSEEFUDBM-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291
N-[3-(dimethylamino)-4-methylphenyl]-5-fluoro-2-hydroxybenzamide
CID 115377989
4-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513243
N-[3-(dimethylamino)-4-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 115377382
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
CID 115378578
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
CID 115378571

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide (CID 103515923) is N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide is Cc1ccc(NC(=O)C(F)F)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide?
The InChIKey is XYIRXWSEEFUDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7-4-5-8(6-9(7)15(2)3)14-11(16)10(12)13/h4-6,10H,1-3H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide?
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide has a molecular weight of 228.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103515923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).