2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide

C16H16F2N2O — CID 60996874

IUPAC2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
SMILESCc1cccc(NC(C)(C(N)=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-10-4-3-5-12(8-10)20-16(2,15(19)21)11-6-7-13(17)14(18)9-11/h3-9,20H,1-2H3,(H2,19,21)
InChIKeyMDSSBVKBKISDLR-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.09
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide

2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide (PubChem CID 60996874) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
PubChem CID60996874
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide
SMILESCc1cccc(NC(C)(C(N)=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-10-4-3-5-12(8-10)20-16(2,15(19)21)11-6-7-13(17)14(18)9-11/h3-9,20H,1-2H3,(H2,19,21)
InChIKeyMDSSBVKBKISDLR-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
CID 60991987
2-(3-methylanilino)-2-pyridin-3-ylpropanamide
CID 54891651
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
methyl 2-(4-chlorophenyl)-2-(3-methylanilino)propanoate
CID 60993351
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
CID 60992379
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-(3-fluoroanilino)-2-pyridin-4-ylpropanamide
CID 54891507
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide (CID 60996874) is 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide is Cc1cccc(NC(C)(C(N)=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide?
The InChIKey is MDSSBVKBKISDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-4-3-5-12(8-10)20-16(2,15(19)21)11-6-7-13(17)14(18)9-11/h3-9,20H,1-2H3,(H2,19,21).
What are the key properties of 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide?
2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide has a molecular weight of 290.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(3-methylanilino)propanamide is sourced from PubChem (CID 60996874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).