(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide

C23H29FN2O2 — CID 100631788

IUPAC(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29FN2O2/c1-16(2)19-12-9-18(10-13-19)11-14-22(27)26(17(3)23(28)25-4)15-20-7-5-6-8-21(20)24/h5-10,12-13,16-17H,11,14-15H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeySAFLFVKMYDBYAK-QGZVFWFLSA-N
MW384.50 g/mol
LogP4.05
Rot. Bonds8

About (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide

(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide (PubChem CID 100631788) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide
PubChem CID100631788
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C23H29FN2O2/c1-16(2)19-12-9-18(10-13-19)11-14-22(27)26(17(3)23(28)25-4)15-20-7-5-6-8-21(20)24/h5-10,12-13,16-17H,11,14-15H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeySAFLFVKMYDBYAK-QGZVFWFLSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 133198748
N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 132657119
2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262610
(2S)-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633860
2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132762793
2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132761877
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100562497
2-[3-(4-tert-butylphenyl)propanoyl-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132664737
2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132659762
2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132668608
(2R)-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-methylpropanamide
CID 100621984
N-[(2-fluorophenyl)methyl]-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100629757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide (CID 100631788) is (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide?
The InChIKey is SAFLFVKMYDBYAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-16(2)19-12-9-18(10-13-19)11-14-22(27)26(17(3)23(28)25-4)15-20-7-5-6-8-21(20)24/h5-10,12-13,16-17H,11,14-15H2,1-4H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide?
(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide has a molecular weight of 384.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100631788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).