3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

C18H21ClN2O2 — CID 109025285

IUPAC3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-23-17-9-5-2-6-14(17)10-12-21-18(22)11-13-20-16-8-4-3-7-15(16)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyWERGOCMFCRITHU-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.51
Rot. Bonds8

About 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 109025285) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID109025285
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-23-17-9-5-2-6-14(17)10-12-21-18(22)11-13-20-16-8-4-3-7-15(16)19/h2-9,20H,10-13H2,1H3,(H,21,22)
InChIKeyWERGOCMFCRITHU-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109025317
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
CID 106262540
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024771
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 109025285) is 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCNc1ccccc1Cl.
What is the InChIKey of 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is WERGOCMFCRITHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-23-17-9-5-2-6-14(17)10-12-21-18(22)11-13-20-16-8-4-3-7-15(16)19/h2-9,20H,10-13H2,1H3,(H,21,22).
What are the key properties of 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 332.83 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).