N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide

C12H12F2N2O — CID 99835722

IUPACN-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O/c1-3-6-16(2)8-12(17)15-11-5-4-9(13)7-10(11)14/h1,4-5,7H,6,8H2,2H3,(H,15,17)
InChIKeyPKVRWTGJPDOUKA-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.47
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide

N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide (PubChem CID 99835722) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide
PubChem CID99835722
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide
SMILESC#CCN(C)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O/c1-3-6-16(2)8-12(17)15-11-5-4-9(13)7-10(11)14/h1,4-5,7H,6,8H2,2H3,(H,15,17)
InChIKeyPKVRWTGJPDOUKA-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
N-(4-chlorophenyl)-2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 4818872
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
N-(2,4-difluorophenyl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 171701675
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196330
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113160935
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113162490
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide (CID 99835722) is N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide is C#CCN(C)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
The InChIKey is PKVRWTGJPDOUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-3-6-16(2)8-12(17)15-11-5-4-9(13)7-10(11)14/h1,4-5,7H,6,8H2,2H3,(H,15,17).
What are the key properties of N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide?
N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide has a molecular weight of 238.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[methyl(prop-2-ynyl)amino]acetamide is sourced from PubChem (CID 99835722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).