2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide

C16H16F2N2O — CID 115524447

IUPAC2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
SMILESNC(=O)C(NCc1ccccc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C16H16F2N2O/c17-15(18)13-8-6-12(7-9-13)14(16(19)21)20-10-11-4-2-1-3-5-11/h1-9,14-15,20H,10H2,(H2,19,21)
InChIKeyMIWRBTYYOVYZLI-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.94
Rot. Bonds6

About 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide

2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide (PubChem CID 115524447) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
PubChem CID115524447
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
SMILESNC(=O)C(NCc1ccccc1)c1ccc(C(F)F)cc1
InChIInChI=1S/C16H16F2N2O/c17-15(18)13-8-6-12(7-9-13)14(16(19)21)20-10-11-4-2-1-3-5-11/h1-9,14-15,20H,10H2,(H2,19,21)
InChIKeyMIWRBTYYOVYZLI-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
CID 81436090
2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 113268835
2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
CID 105401783
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
2-[[4-(ethoxymethyl)phenyl]methylamino]-2-phenylacetamide
CID 56811841
2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
(2R)-2-[(2-fluorophenyl)methylamino]-2-phenylacetamide
CID 33473493
4-[(benzylamino)-carboxymethyl]benzoic acid
CID 10085320
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide (CID 115524447) is 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide is NC(=O)C(NCc1ccccc1)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide?
The InChIKey is MIWRBTYYOVYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-15(18)13-8-6-12(7-9-13)14(16(19)21)20-10-11-4-2-1-3-5-11/h1-9,14-15,20H,10H2,(H2,19,21).
What are the key properties of 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide?
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide is sourced from PubChem (CID 115524447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).