N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide

C19H19ClF2N2O2 — CID 113056272

IUPACN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClF2N2O2/c1-13(25)24(10-8-14-2-5-16(20)6-3-14)11-9-23-19(26)15-4-7-17(21)18(22)12-15/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyZJINZISLUCDOJR-UHFFFAOYSA-N
MW380.82 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide

N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113056272) has the molecular formula C19H19ClF2N2O2 and a molecular weight of 380.82 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
PubChem CID113056272
Molecular FormulaC19H19ClF2N2O2
Molecular Weight380.82 g/mol
Exact Mass380.11
IUPAC NameN-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClF2N2O2/c1-13(25)24(10-8-14-2-5-16(20)6-3-14)11-9-23-19(26)15-4-7-17(21)18(22)12-15/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKeyZJINZISLUCDOJR-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
CID 113057065
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055124
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylbutanamide
CID 113056238
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055209
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113056239
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056288

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide (CID 113056272) is N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)CCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is ZJINZISLUCDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O2/c1-13(25)24(10-8-14-2-5-16(20)6-3-14)11-9-23-19(26)15-4-7-17(21)18(22)12-15/h2-7,12H,8-11H2,1H3,(H,23,26).
What are the key properties of N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide?
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 380.82 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113056272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).