N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide

C17H16F2N2O2 — CID 56825610

IUPACN-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)Nc1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11(22)21-14-5-2-12(3-6-14)8-9-20-17(23)13-4-7-15(18)16(19)10-13/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyPOWWOHVHXLRTHH-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide

N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide (PubChem CID 56825610) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
PubChem CID56825610
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)Nc1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11(22)21-14-5-2-12(3-6-14)8-9-20-17(23)13-4-7-15(18)16(19)10-13/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyPOWWOHVHXLRTHH-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983258
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
4-bromo-3-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 47421922
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 27256677
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[2-(4-amino-3-nitrophenyl)ethyl]-3,4-difluorobenzamide
CID 67494921
3,4-difluoro-N-heptylbenzamide
CID 91717416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide (CID 56825610) is N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide is CC(=O)Nc1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide?
The InChIKey is POWWOHVHXLRTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11(22)21-14-5-2-12(3-6-14)8-9-20-17(23)13-4-7-15(18)16(19)10-13/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide?
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide has a molecular weight of 318.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 56825610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).