N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide

C17H17ClN2O2 — CID 113059617

IUPACN-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-13(21)20(16-9-7-15(18)8-10-16)12-11-19-17(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyMMYMYYHOFOYJHA-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide

N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide (PubChem CID 113059617) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
PubChem CID113059617
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-13(21)20(16-9-7-15(18)8-10-16)12-11-19-17(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyMMYMYYHOFOYJHA-UHFFFAOYSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
N-[2-(N-acetylanilino)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 113057197

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide (CID 113059617) is N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide is CC(=O)N(CCNC(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide?
The InChIKey is MMYMYYHOFOYJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-13(21)20(16-9-7-15(18)8-10-16)12-11-19-17(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide?
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.12, 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-4-chloroanilino)ethyl]benzamide is sourced from PubChem (CID 113059617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).