2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide

C22H26ClFN2O2 — CID 132662442

IUPAC2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C22H26ClFN2O2/c1-15(2)25-22(28)16(3)26(14-17-8-11-19(24)12-9-17)21(27)13-10-18-6-4-5-7-20(18)23/h4-9,11-12,15-16H,10,13-14H2,1-3H3,(H,25,28)
InChIKeyUBAYLXXLBYCFOM-UHFFFAOYSA-N
MW404.91 g/mol
LogP4.35
Rot. Bonds8

About 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide

2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132662442) has the molecular formula C22H26ClFN2O2 and a molecular weight of 404.91 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID132662442
Molecular FormulaC22H26ClFN2O2
Molecular Weight404.91 g/mol
Exact Mass404.17
IUPAC Name2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C22H26ClFN2O2/c1-15(2)25-22(28)16(3)26(14-17-8-11-19(24)12-9-17)21(27)13-10-18-6-4-5-7-20(18)23/h4-9,11-12,15-16H,10,13-14H2,1-3H3,(H,25,28)
InChIKeyUBAYLXXLBYCFOM-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100690085
(2S)-N-[(2R)-butan-2-yl]-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574362
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132658494
(2R)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516926
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
2-[benzyl-[2-(2-chlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132656010
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132664735
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132659384
(2R)-2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100684192
N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132712575
2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 133211862
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132663337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 132662442) is 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is UBAYLXXLBYCFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O2/c1-15(2)25-22(28)16(3)26(14-17-8-11-19(24)12-9-17)21(27)13-10-18-6-4-5-7-20(18)23/h4-9,11-12,15-16H,10,13-14H2,1-3H3,(H,25,28).
What are the key properties of 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 404.91 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132662442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).