N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide

C25H24F2N2O4 — CID 24597982

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(-c2cc(NC(=O)CCNC(=O)Cc3ccccc3)ccc2OC(F)F)cc1
InChIInChI=1S/C25H24F2N2O4/c1-32-20-10-7-18(8-11-20)21-16-19(9-12-22(21)33-25(26)27)29-23(30)13-14-28-24(31)15-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H,28,31)(H,29,30)
InChIKeyRHVSHGAWJQVSIN-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.65
Rot. Bonds10

About N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 24597982) has the molecular formula C25H24F2N2O4 and a molecular weight of 454.47 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID24597982
Molecular FormulaC25H24F2N2O4
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCOc1ccc(-c2cc(NC(=O)CCNC(=O)Cc3ccccc3)ccc2OC(F)F)cc1
InChIInChI=1S/C25H24F2N2O4/c1-32-20-10-7-18(8-11-20)21-16-19(9-12-22(21)33-25(26)27)29-23(30)13-14-28-24(31)15-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H,28,31)(H,29,30)
InChIKeyRHVSHGAWJQVSIN-UHFFFAOYSA-N
XLogP4.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 46813370
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylbutanamide
CID 24576079
1-butyl-3-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]thiourea
CID 9213948
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55369477
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 37040678
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
CID 51939888
2-(3-fluorophenyl)-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetamide
CID 8745498
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 26703269

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide (CID 24597982) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide is COc1ccc(-c2cc(NC(=O)CCNC(=O)Cc3ccccc3)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is RHVSHGAWJQVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O4/c1-32-20-10-7-18(8-11-20)21-16-19(9-12-22(21)33-25(26)27)29-23(30)13-14-28-24(31)15-17-5-3-2-4-6-17/h2-12,16,25H,13-15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 454.47 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 24597982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).