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

C18H19ClN2O3 — CID 113059627

IUPACN-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(15-9-7-14(19)8-10-15)12-11-20-18(23)16-5-3-4-6-17(16)24-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeySAMPMEVCZRTYIK-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.13
Rot. Bonds6

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

N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide (PubChem CID 113059627) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
PubChem CID113059627
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(15-9-7-14(19)8-10-15)12-11-20-18(23)16-5-3-4-6-17(16)24-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeySAMPMEVCZRTYIK-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

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Related Compounds

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
CID 113064327
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide (CID 113059627) is N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide?
The InChIKey is SAMPMEVCZRTYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(22)21(15-9-7-14(19)8-10-15)12-11-20-18(23)16-5-3-4-6-17(16)24-2/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide?
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-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-4-chloroanilino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113059627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).