3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide

C18H18ClFN2O2 — CID 113119498

IUPAC3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)Cc1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-13(23)22(12-14-6-2-3-7-15(14)19)11-10-18(24)21-17-9-5-4-8-16(17)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyFJOFEOWEFKTBLN-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.86
Rot. Bonds6

About 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide (PubChem CID 113119498) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
PubChem CID113119498
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1F)Cc1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O2/c1-13(23)22(12-14-6-2-3-7-15(14)19)11-10-18(24)21-17-9-5-4-8-16(17)20/h2-9H,10-12H2,1H3,(H,21,24)
InChIKeyFJOFEOWEFKTBLN-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113119482
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119484
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide (CID 113119498) is 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1F)Cc1ccccc1Cl.
What is the InChIKey of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
The InChIKey is FJOFEOWEFKTBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-13(23)22(12-14-6-2-3-7-15(14)19)11-10-18(24)21-17-9-5-4-8-16(17)20/h2-9H,10-12H2,1H3,(H,21,24).
What are the key properties of 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide?
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide has a molecular weight of 348.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113119498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).