(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

C22H27FN2O2 — CID 100727038

IUPAC(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-16(2)24-22(27)17(3)25(14-13-18-9-5-4-6-10-18)21(26)15-19-11-7-8-12-20(19)23/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)/t17-/m0/s1
InChIKeyDFWATAXNUSFKIZ-KRWDZBQOSA-N
MW370.47 g/mol
LogP3.35
Rot. Bonds8

About (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100727038) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
PubChem CID100727038
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-16(2)24-22(27)17(3)25(14-13-18-9-5-4-6-10-18)21(26)15-19-11-7-8-12-20(19)23/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)/t17-/m0/s1
InChIKeyDFWATAXNUSFKIZ-KRWDZBQOSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721031
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727006
N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726790
N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726781
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100683617
(2R)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100523888
2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 132658025
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 100640144
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132651314
(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 100568060
(2S)-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100725909
(2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721086

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (CID 100727038) is (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1F.
What is the InChIKey of (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is DFWATAXNUSFKIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16(2)24-22(27)17(3)25(14-13-18-9-5-4-6-10-18)21(26)15-19-11-7-8-12-20(19)23/h4-12,16-17H,13-15H2,1-3H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100727038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).