(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C27H28ClFN2O2 — CID 100512178

IUPAC(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C27H28ClFN2O2/c1-19(2)30-27(33)25(16-20-10-4-3-5-11-20)31(18-22-13-7-9-15-24(22)29)26(32)17-21-12-6-8-14-23(21)28/h3-15,19,25H,16-18H2,1-2H3,(H,30,33)/t25-/m1/s1
InChIKeyMLRWNTKWLFZEEW-RUZDIDTESA-N
MW466.98 g/mol
LogP5.19
Rot. Bonds9

About (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide

(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 100512178) has the molecular formula C27H28ClFN2O2 and a molecular weight of 466.98 g/mol. Its IUPAC name is (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID100512178
Molecular FormulaC27H28ClFN2O2
Molecular Weight466.98 g/mol
Exact Mass466.18
IUPAC Name(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C27H28ClFN2O2/c1-19(2)30-27(33)25(16-20-10-4-3-5-11-20)31(18-22-13-7-9-15-24(22)29)26(32)17-21-12-6-8-14-23(21)28/h3-15,19,25H,16-18H2,1-2H3,(H,30,33)/t25-/m1/s1
InChIKeyMLRWNTKWLFZEEW-RUZDIDTESA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.98
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262661
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100534320
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100545598
2-[[2-(2-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262421
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133154168
(2R)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100545808
2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262479
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100539911
2-[[2-(2-chlorophenyl)acetyl]-[(3-chlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133256547
(2S)-2-[(2-fluorophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100511856
2-[[2-(4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262338
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100515476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 100512178) is (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl.
What is the InChIKey of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is MLRWNTKWLFZEEW-RUZDIDTESA-N. The full InChI is InChI=1S/C27H28ClFN2O2/c1-19(2)30-27(33)25(16-20-10-4-3-5-11-20)31(18-22-13-7-9-15-24(22)29)26(32)17-21-12-6-8-14-23(21)28/h3-15,19,25H,16-18H2,1-2H3,(H,30,33)/t25-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide?
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 466.98 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 100512178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).