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

C18H19ClN2O3 — CID 113059525

IUPACN-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-7-4-6-15(19)12-16)10-9-20-18(23)14-5-3-8-17(11-14)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)
InChIKeyXGNCGUCLTBRNRW-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.13
Rot. Bonds6

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

N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide (PubChem CID 113059525) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
PubChem CID113059525
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(C(C)=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-7-4-6-15(19)12-16)10-9-20-18(23)14-5-3-8-17(11-14)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)
InChIKeyXGNCGUCLTBRNRW-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-3-chlorobenzamide
CID 113061451
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-3-methoxybenzamide
CID 113062380
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 41215375
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide (CID 113059525) is N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN(C(C)=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide?
The InChIKey is XGNCGUCLTBRNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(22)21(16-7-4-6-15(19)12-16)10-9-20-18(23)14-5-3-8-17(11-14)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide?
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113059525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).