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

C18H17Cl2FN2O2 — CID 113119222

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1F
InChIInChI=1S/C18H17Cl2FN2O2/c1-12(24)23(11-13-5-2-3-7-15(13)21)10-9-17(25)22-16-8-4-6-14(19)18(16)20/h2-8H,9-11H2,1H3,(H,22,25)
InChIKeyHBPHUTRCWUSLAB-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.51
Rot. Bonds6

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

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide (PubChem CID 113119222) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
PubChem CID113119222
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1F
InChIInChI=1S/C18H17Cl2FN2O2/c1-12(24)23(11-13-5-2-3-7-15(13)21)10-9-17(25)22-16-8-4-6-14(19)18(16)20/h2-8H,9-11H2,1H3,(H,22,25)
InChIKeyHBPHUTRCWUSLAB-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119498
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113119482

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide (CID 113119222) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1F.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is HBPHUTRCWUSLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c1-12(24)23(11-13-5-2-3-7-15(13)21)10-9-17(25)22-16-8-4-6-14(19)18(16)20/h2-8H,9-11H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 383.25 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 113119222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).