2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide

C22H27FN2O2 — CID 133257260

IUPAC2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(Cc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C22H27FN2O2/c1-4-21(26)25(15-18-10-12-19(23)13-11-18)20(22(27)24-16(2)3)14-17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,24,27)
InChIKeyMMTIISZDJICDPO-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.70
Rot. Bonds8

About 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide

2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133257260) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID133257260
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(Cc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C22H27FN2O2/c1-4-21(26)25(15-18-10-12-19(23)13-11-18)20(22(27)24-16(2)3)14-17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,24,27)
InChIKeyMMTIISZDJICDPO-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100512500
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133215067
(2S)-2-[(4-fluorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516558
(2R)-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516594
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100515476
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257147
(2S)-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100517648
2-[benzyl(propanoyl)amino]-N-propan-2-ylbutanamide
CID 132649938
(2R)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516926
N-[(4-fluorophenyl)methyl]-N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]-4-phenoxybutanamide
CID 100515711
(2R)-2-[(4-fluorophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100517429
(2S)-2-[(4-fluorophenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100512817

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide (CID 133257260) is 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide is CCC(=O)N(Cc1ccc(F)cc1)C(Cc1ccccc1)C(=O)NC(C)C.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is MMTIISZDJICDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-4-21(26)25(15-18-10-12-19(23)13-11-18)20(22(27)24-16(2)3)14-17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133257260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).