3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide

C18H19ClN2O3 — CID 46689011

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)20-17(13-3-5-14(19)6-4-13)11-18(23)21-15-7-9-16(24-2)10-8-15/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCWBBPJVBTHLFDJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.55
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 46689011) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
PubChem CID46689011
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)20-17(13-3-5-14(19)6-4-13)11-18(23)21-15-7-9-16(24-2)10-8-15/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCWBBPJVBTHLFDJ-UHFFFAOYSA-N
XLogP3.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380350
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
3-acetamido-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 55487655
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818457
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide (CID 46689011) is 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CC(NC(C)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is CWBBPJVBTHLFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)20-17(13-3-5-14(19)6-4-13)11-18(23)21-15-7-9-16(24-2)10-8-15/h3-10,17H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 346.81 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46689011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).