N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide

C25H25F2N3O2 — CID 46056352

IUPACN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
SMILESCC(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H25F2N3O2/c1-17(2)28-25(32)30(16-18-6-8-20(26)9-7-18)23-5-3-4-19(14-23)15-24(31)29-22-12-10-21(27)11-13-22/h3-14,17H,15-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyMHFIKUUGGGGAST-UHFFFAOYSA-N
MW437.49 g/mol
LogP5.27
Rot. Bonds7

About N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide

N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide (PubChem CID 46056352) has the molecular formula C25H25F2N3O2 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
PubChem CID46056352
Molecular FormulaC25H25F2N3O2
Molecular Weight437.49 g/mol
Exact Mass437.19
IUPAC NameN-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
SMILESCC(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H25F2N3O2/c1-17(2)28-25(32)30(16-18-6-8-20(26)9-7-18)23-5-3-4-19(14-23)15-24(31)29-22-12-10-21(27)11-13-22/h3-14,17H,15-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyMHFIKUUGGGGAST-UHFFFAOYSA-N
XLogP5.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.49
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
4-chloro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056889
N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
CID 46057051
2-[3-[tert-butylcarbamoyl-[(4-fluorophenyl)methyl]amino]phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46056347
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
4-chloro-N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056893
N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 42852959
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46056872
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46056385
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide (CID 46056352) is N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide is CC(C)NC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
The InChIKey is MHFIKUUGGGGAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2/c1-17(2)28-25(32)30(16-18-6-8-20(26)9-7-18)23-5-3-4-19(14-23)15-24(31)29-22-12-10-21(27)11-13-22/h3-14,17H,15-16H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide?
N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide has a molecular weight of 437.49 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide is sourced from PubChem (CID 46056352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).