2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide

C19H20ClFN2O2 — CID 132761877

IUPAC2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClFN2O2/c1-13(19(25)22-2)23(12-15-8-4-6-10-17(15)21)18(24)11-14-7-3-5-9-16(14)20/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyOSHYYPLJCQJETG-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.18
Rot. Bonds6

About 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide

2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide (PubChem CID 132761877) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
PubChem CID132761877
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C19H20ClFN2O2/c1-13(19(25)22-2)23(12-15-8-4-6-10-17(15)21)18(24)11-14-7-3-5-9-16(14)20/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyOSHYYPLJCQJETG-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633860
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-methylpropanamide
CID 132654084
2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132652351
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132651314
(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 100568060
2-[(2-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 132656883
(2R)-2-[(2-fluorophenyl)methyl-[2-(2,4,5-trichloro-N-methylsulfonylanilino)acetyl]amino]-N-methylpropanamide
CID 100628498
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100512178
(2S)-2-[[2-(2-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633159
(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100631788
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132763365
4-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132763966

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide (CID 132761877) is 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide?
The InChIKey is OSHYYPLJCQJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-13(19(25)22-2)23(12-15-8-4-6-10-17(15)21)18(24)11-14-7-3-5-9-16(14)20/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide?
2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide has a molecular weight of 362.83 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132761877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).