N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide

C17H16F2N2O — CID 51248536

IUPACN-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
SMILESO=C(NC1CC1)C(Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H16F2N2O/c18-14-9-8-13(10-15(14)19)20-16(11-4-2-1-3-5-11)17(22)21-12-6-7-12/h1-5,8-10,12,16,20H,6-7H2,(H,21,22)
InChIKeyMBUQLEDXRQVVNC-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.40
Rot. Bonds5

About N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide

N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide (PubChem CID 51248536) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
PubChem CID51248536
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC NameN-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
SMILESO=C(NC1CC1)C(Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C17H16F2N2O/c18-14-9-8-13(10-15(14)19)20-16(11-4-2-1-3-5-11)17(22)21-12-6-7-12/h1-5,8-10,12,16,20H,6-7H2,(H,21,22)
InChIKeyMBUQLEDXRQVVNC-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
CID 78807692
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide
CID 126770182
N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide
CID 34277955
3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
CID 41081211
N-cyclopropyl-2-[3-[(4-hydroxypiperidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 42956372
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-phenylacetamide
CID 9044058
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide (CID 51248536) is N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide is O=C(NC1CC1)C(Nc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide?
The InChIKey is MBUQLEDXRQVVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-14-9-8-13(10-15(14)19)20-16(11-4-2-1-3-5-11)17(22)21-12-6-7-12/h1-5,8-10,12,16,20H,6-7H2,(H,21,22).
What are the key properties of N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide?
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide has a molecular weight of 302.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide is sourced from PubChem (CID 51248536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).