(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide

C22H27FN2O2 — CID 100669445

IUPAC(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-15(2)24-22(27)17(4)25(14-19-7-5-16(3)6-8-19)21(26)13-18-9-11-20(23)12-10-18/h5-12,15,17H,13-14H2,1-4H3,(H,24,27)/t17-/m0/s1
InChIKeyJQNGOWMJTBCFJQ-KRWDZBQOSA-N
MW370.47 g/mol
LogP3.62
Rot. Bonds7

About (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide

(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100669445) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID100669445
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C22H27FN2O2/c1-15(2)24-22(27)17(4)25(14-19-7-5-16(3)6-8-19)21(26)13-18-9-11-20(23)12-10-18/h5-12,15,17H,13-14H2,1-4H3,(H,24,27)/t17-/m0/s1
InChIKeyJQNGOWMJTBCFJQ-KRWDZBQOSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645911
(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663135
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 132703411
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667543
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575362
(2S)-2-[(4-fluorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100690597
(2R)-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516594
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132985428
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213144
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 100669445) is (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is Cc1ccc(CN(C(=O)Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)cc1.
What is the InChIKey of (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is JQNGOWMJTBCFJQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-15(2)24-22(27)17(4)25(14-19-7-5-16(3)6-8-19)21(26)13-18-9-11-20(23)12-10-18/h5-12,15,17H,13-14H2,1-4H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100669445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).