3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide

C20H23ClN2O3 — CID 113118487

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C20H23ClN2O3/c1-14-6-4-5-7-16(14)13-23(15(2)24)11-10-20(25)22-18-12-17(21)8-9-19(18)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyLNGGHKGZIRSZGR-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.03
Rot. Bonds7

About 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 113118487) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID113118487
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C20H23ClN2O3/c1-14-6-4-5-7-16(14)13-23(15(2)24)11-10-20(25)22-18-12-17(21)8-9-19(18)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyLNGGHKGZIRSZGR-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113161478
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113119822
3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113116035
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113161536
2-(N-acetyl-2-ethyl-6-methylanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113169517
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
N'-(5-chloro-2-methoxyphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945457

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide (CID 113118487) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCN(Cc1ccccc1C)C(C)=O.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is LNGGHKGZIRSZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-6-4-5-7-16(14)13-23(15(2)24)11-10-20(25)22-18-12-17(21)8-9-19(18)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 374.87 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 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 113118487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).