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

C22H26ClFN2O2 — CID 132706192

IUPACN-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C22H26ClFN2O2/c1-3-4-13-25-22(28)16(2)26(15-17-9-11-19(23)12-10-17)21(27)14-18-7-5-6-8-20(18)24/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,28)
InChIKeyDHAUKQWMVHCBMK-UHFFFAOYSA-N
MW404.91 g/mol
LogP4.36
Rot. Bonds9

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

N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide (PubChem CID 132706192) has the molecular formula C22H26ClFN2O2 and a molecular weight of 404.91 g/mol. Its IUPAC name is N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
PubChem CID132706192
Molecular FormulaC22H26ClFN2O2
Molecular Weight404.91 g/mol
Exact Mass404.17
IUPAC NameN-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C22H26ClFN2O2/c1-3-4-13-25-22(28)16(2)26(15-17-9-11-19(23)12-10-17)21(27)14-18-7-5-6-8-20(18)24/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,28)
InChIKeyDHAUKQWMVHCBMK-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
N-butyl-2-[(4-chlorophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132717132
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100683617
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100563738
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide
CID 132708127
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
CID 133257302
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132708850
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132705259
(2S)-N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100565173
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132659384

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide?
The IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide (CID 132706192) is N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F.
What is the InChIKey of N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide?
The InChIKey is DHAUKQWMVHCBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O2/c1-3-4-13-25-22(28)16(2)26(15-17-9-11-19(23)12-10-17)21(27)14-18-7-5-6-8-20(18)24/h5-12,16H,3-4,13-15H2,1-2H3,(H,25,28).
What are the key properties of N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide?
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide has a molecular weight of 404.91 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 132706192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).