4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide

C16H12ClF3N2O2 — CID 78834572

IUPAC4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
SMILESCNC(=O)C(NC(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF3N2O2/c1-21-16(24)14(8-2-5-11(18)13(20)6-8)22-15(23)10-4-3-9(17)7-12(10)19/h2-7,14H,1H3,(H,21,24)(H,22,23)
InChIKeyVNEVTQCJCDUUAW-UHFFFAOYSA-N
MW356.73 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide

4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 78834572) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
PubChem CID78834572
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
SMILESCNC(=O)C(NC(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C16H12ClF3N2O2/c1-21-16(24)14(8-2-5-11(18)13(20)6-8)22-15(23)10-4-3-9(17)7-12(10)19/h2-7,14H,1H3,(H,21,24)(H,22,23)
InChIKeyVNEVTQCJCDUUAW-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55501871
2-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55501724
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
3-chloro-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 134051673
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195
1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 78841474
2-chloro-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55483282
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 78841466
4-chloro-N-[4-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-4-oxobutyl]benzamide
CID 55501712
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55790410
5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 134051645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide (CID 78834572) is 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide is CNC(=O)C(NC(=O)c1ccc(Cl)cc1F)c1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is VNEVTQCJCDUUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c1-21-16(24)14(8-2-5-11(18)13(20)6-8)22-15(23)10-4-3-9(17)7-12(10)19/h2-7,14H,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide?
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 356.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 78834572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).