3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide

C18H18ClFN2O2 — CID 51195101

IUPAC3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Cl)cc1F)c1ccc(C)cc1
InChIInChI=1S/C18H18ClFN2O2/c1-11-3-5-13(6-4-11)17(21-12(2)23)10-18(24)22-16-8-7-14(19)9-15(16)20/h3-9,17H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNAYJEUGGNVOJES-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.99
Rot. Bonds5

About 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide (PubChem CID 51195101) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
PubChem CID51195101
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(Cl)cc1F)c1ccc(C)cc1
InChIInChI=1S/C18H18ClFN2O2/c1-11-3-5-13(6-4-11)17(21-12(2)23)10-18(24)22-16-8-7-14(19)9-15(16)20/h3-9,17H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNAYJEUGGNVOJES-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(3,4-difluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195190
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-N-[2-chloro-5-(propanoylamino)phenyl]-3-(4-methylphenyl)propanamide
CID 55799139
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
CID 55706071
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
methyl 4-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methylbenzoate
CID 55531525

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide (CID 51195101) is 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1ccc(Cl)cc1F)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is NAYJEUGGNVOJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-11-3-5-13(6-4-11)17(21-12(2)23)10-18(24)22-16-8-7-14(19)9-15(16)20/h3-9,17H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 348.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51195101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).