N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide

C17H17ClN2O2 — CID 113059514

IUPACN-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-13(21)20(16-9-5-8-15(18)12-16)11-10-19-17(22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,22)
InChIKeyYWANBKYPINCVRK-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide

N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide (PubChem CID 113059514) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
PubChem CID113059514
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-13(21)20(16-9-5-8-15(18)12-16)11-10-19-17(22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,22)
InChIKeyYWANBKYPINCVRK-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-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
CID 113061451
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
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-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960
N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113059573

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide (CID 113059514) is N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide is CC(=O)N(CCNC(=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide?
The InChIKey is YWANBKYPINCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-13(21)20(16-9-5-8-15(18)12-16)11-10-19-17(22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide?
N-[2-(N-acetyl-3-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-3-chloroanilino)ethyl]benzamide is sourced from PubChem (CID 113059514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).