2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide

C20H22ClFN2O2 — CID 132656685

IUPAC2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O2/c1-3-18(20(26)23-2)24(13-15-4-8-16(21)9-5-15)19(25)12-14-6-10-17(22)11-7-14/h4-11,18H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyGINVCDISERVPTJ-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.58
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide

2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide (PubChem CID 132656685) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide
PubChem CID132656685
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H22ClFN2O2/c1-3-18(20(26)23-2)24(13-15-4-8-16(21)9-5-15)19(25)12-14-6-10-17(22)11-7-14/h4-11,18H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyGINVCDISERVPTJ-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132708841
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]butanamide
CID 132708889
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100712783
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylbutanamide
CID 132656683
2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylbutanamide
CID 132654253
2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methylbutanamide
CID 132659712
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132663911
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propylbutanamide
CID 132666533
2-[[2-(4-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132659746
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]butanamide
CID 100703797
(2S)-2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100576018
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylbutanamide
CID 100571001

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide (CID 132656685) is 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide is CCC(C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide?
The InChIKey is GINVCDISERVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-3-18(20(26)23-2)24(13-15-4-8-16(21)9-5-15)19(25)12-14-6-10-17(22)11-7-14/h4-11,18H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide?
2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide has a molecular weight of 376.86 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-methylbutanamide is sourced from PubChem (CID 132656685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).