N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide

C25H25F4N3O3 — CID 4149991

IUPACN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H25F4N3O3/c1-17(2)32(24(34)30-21-6-3-5-19(13-21)25(27,28)29)16-23(33)31(15-22-7-4-12-35-22)14-18-8-10-20(26)11-9-18/h3-13,17H,14-16H2,1-2H3,(H,30,34)
InChIKeyCYIKWDWFPPBUPB-UHFFFAOYSA-N
MW491.49 g/mol
LogP5.91
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (PubChem CID 4149991) has the molecular formula C25H25F4N3O3 and a molecular weight of 491.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
PubChem CID4149991
Molecular FormulaC25H25F4N3O3
Molecular Weight491.49 g/mol
Exact Mass491.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H25F4N3O3/c1-17(2)32(24(34)30-21-6-3-5-19(13-21)25(27,28)29)16-23(33)31(15-22-7-4-12-35-22)14-18-8-10-20(26)11-9-18/h3-13,17H,14-16H2,1-2H3,(H,30,34)
InChIKeyCYIKWDWFPPBUPB-UHFFFAOYSA-N
XLogP5.91
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.49
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4077906
2-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4278791
2-[(2,4-difluorophenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3586658
ethyl 4-[[[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]benzoate
CID 42773525
N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 4189347
2-[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3577808
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 3433525
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 5169178
3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3355017
2-[butan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4138663
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3355018
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-propan-2-ylamino]-N-(furan-2-ylmethyl)acetamide
CID 3247733

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide (CID 4149991) is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is CC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
The InChIKey is CYIKWDWFPPBUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N3O3/c1-17(2)32(24(34)30-21-6-3-5-19(13-21)25(27,28)29)16-23(33)31(15-22-7-4-12-35-22)14-18-8-10-20(26)11-9-18/h3-13,17H,14-16H2,1-2H3,(H,30,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide has a molecular weight of 491.49 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 4149991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).