N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide

C19H19ClF2N2O2 — CID 113060172

IUPACN-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H19ClF2N2O2/c1-11-8-12(2)18(15(20)9-11)24(13(3)25)7-6-23-19(26)14-4-5-16(21)17(22)10-14/h4-5,8-10H,6-7H2,1-3H3,(H,23,26)
InChIKeyAMNFJEHJBQIZQT-UHFFFAOYSA-N
MW380.82 g/mol
LogP4.02
Rot. Bonds5

About N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide

N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide (PubChem CID 113060172) has the molecular formula C19H19ClF2N2O2 and a molecular weight of 380.82 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide
PubChem CID113060172
Molecular FormulaC19H19ClF2N2O2
Molecular Weight380.82 g/mol
Exact Mass380.11
IUPAC NameN-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H19ClF2N2O2/c1-11-8-12(2)18(15(20)9-11)24(13(3)25)7-6-23-19(26)14-4-5-16(21)17(22)10-14/h4-5,8-10H,6-7H2,1-3H3,(H,23,26)
InChIKeyAMNFJEHJBQIZQT-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
CID 113060167
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060159
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022
N-[2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113070232

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide (CID 113060172) is N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide?
The InChIKey is AMNFJEHJBQIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O2/c1-11-8-12(2)18(15(20)9-11)24(13(3)25)7-6-23-19(26)14-4-5-16(21)17(22)10-14/h4-5,8-10H,6-7H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide?
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide has a molecular weight of 380.82 g/mol, XLogP of 4.02, 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-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113060172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).