4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide

C17H16F2N2O2 — CID 26172289

IUPAC4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-10(15-8-5-13(18)9-16(15)19)20-17(23)12-3-6-14(7-4-12)21-11(2)22/h3-10H,1-2H3,(H,20,23)(H,21,22)/t10-/m1/s1
InChIKeyXCWHZWLCCCBRJN-SNVBAGLBSA-N
MW318.32 g/mol
LogP3.41
Rot. Bonds4

About 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide

4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide (PubChem CID 26172289) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
PubChem CID26172289
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-10(15-8-5-13(18)9-16(15)19)20-17(23)12-3-6-14(7-4-12)21-11(2)22/h3-10H,1-2H3,(H,20,23)(H,21,22)/t10-/m1/s1
InChIKeyXCWHZWLCCCBRJN-SNVBAGLBSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 107999356
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide (CID 26172289) is 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide is CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide?
The InChIKey is XCWHZWLCCCBRJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10(15-8-5-13(18)9-16(15)19)20-17(23)12-3-6-14(7-4-12)21-11(2)22/h3-10H,1-2H3,(H,20,23)(H,21,22)/t10-/m1/s1.
What are the key properties of 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide?
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 26172289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).