N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide

C17H15ClF2N2O2 — CID 113060070

IUPACN-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-6-7-16(20)15(18)10-14)9-8-21-17(24)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyFCQUWDMDFBHHBC-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide

N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide (PubChem CID 113060070) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
PubChem CID113060070
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC NameN-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-6-7-16(20)15(18)10-14)9-8-21-17(24)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyFCQUWDMDFBHHBC-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113060098
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide (CID 113060070) is N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide?
The InChIKey is FCQUWDMDFBHHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-11(23)22(14-6-7-16(20)15(18)10-14)9-8-21-17(24)12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide?
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide has a molecular weight of 352.77 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 113060070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).