N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide

C19H22ClNO3 — CID 90599881

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(C)(OC)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-24-17-10-8-14(9-11-17)18(22)21-13-19(2,23-3)15-6-5-7-16(20)12-15/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyOKDWYLYIDMVKNN-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide (PubChem CID 90599881) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
PubChem CID90599881
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(C)(OC)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-24-17-10-8-14(9-11-17)18(22)21-13-19(2,23-3)15-6-5-7-16(20)12-15/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyOKDWYLYIDMVKNN-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide 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-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
CID 90599898
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
1-(3-chlorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 62788302
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide
CID 90599943
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide (CID 90599881) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(C)(OC)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide?
The InChIKey is OKDWYLYIDMVKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-24-17-10-8-14(9-11-17)18(22)21-13-19(2,23-3)15-6-5-7-16(20)12-15/h5-12H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide has a molecular weight of 347.84 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide is sourced from PubChem (CID 90599881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).