N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide

C16H14F2N2O2 — CID 95402613

IUPACN-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)[C@H](NC(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O2/c1-19-16(22)14(11-7-8-12(17)13(18)9-11)20-15(21)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyZQOLGNOWVNCJDI-CQSZACIVSA-N
MW304.30 g/mol
LogP2.18
Rot. Bonds4

About N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide

N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 95402613) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
PubChem CID95402613
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)[C@H](NC(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O2/c1-19-16(22)14(11-7-8-12(17)13(18)9-11)20-15(21)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChIKeyZQOLGNOWVNCJDI-CQSZACIVSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-phenylmethoxybenzamide
CID 55501489
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55651965
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 134051659
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 134051669
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313
tert-butyl N-[4-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 55501862
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 78841466
3-chloro-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 134051673
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55691366
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55502212

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide (CID 95402613) is N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is ZQOLGNOWVNCJDI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-19-16(22)14(11-7-8-12(17)13(18)9-11)20-15(21)10-5-3-2-4-6-10/h2-9,14H,1H3,(H,19,22)(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide?
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 304.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 95402613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).