2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide

C21H25FN2O2 — CID 132653801

IUPAC2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C21H25FN2O2/c1-15-4-6-17(7-5-15)10-13-20(25)24(16(2)21(26)23-3)14-18-8-11-19(22)12-9-18/h4-9,11-12,16H,10,13-14H2,1-3H3,(H,23,26)
InChIKeyRLHGEBAACGWYME-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.23
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide

2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide (PubChem CID 132653801) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide
PubChem CID132653801
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C21H25FN2O2/c1-15-4-6-17(7-5-15)10-13-20(25)24(16(2)21(26)23-3)14-18-8-11-19(22)12-9-18/h4-9,11-12,16H,10,13-14H2,1-3H3,(H,23,26)
InChIKeyRLHGEBAACGWYME-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132655600
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100572122
2-[(4-fluorophenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 132658791
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 132707568
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
(2S)-2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 100646101
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257147
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574041
(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100669445
2-[[2-[N-(benzenesulfonyl)-4-fluoroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132679608
2-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132679613
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148986

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide (CID 132653801) is 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide?
The InChIKey is RLHGEBAACGWYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15-4-6-17(7-5-15)10-13-20(25)24(16(2)21(26)23-3)14-18-8-11-19(22)12-9-18/h4-9,11-12,16H,10,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide?
2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide has a molecular weight of 356.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132653801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).