3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea

C24H25FN2O3 — CID 42696062

IUPAC3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccccc2F)C(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H25FN2O3/c1-17(18-9-5-4-6-10-18)27(16-19-11-7-8-12-21(19)25)24(28)26-22-14-13-20(29-2)15-23(22)30-3/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyJVCALGHIHBTGFP-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.64
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea

3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea (PubChem CID 42696062) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea
PubChem CID42696062
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2ccccc2F)C(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C24H25FN2O3/c1-17(18-9-5-4-6-10-18)27(16-19-11-7-8-12-21(19)25)24(28)26-22-14-13-20(29-2)15-23(22)30-3/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyJVCALGHIHBTGFP-UHFFFAOYSA-N
XLogP5.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-phenylacetamide
CID 43819769
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43821085
N-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclopentane-1-carboxamide
CID 43821096
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962476
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 46763983
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
CID 48846730
(2S)-N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 94012680
N-[4-(2,4-dimethoxyanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112987949

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea (CID 42696062) is 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea is COc1ccc(NC(=O)N(Cc2ccccc2F)C(C)c2ccccc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea?
The InChIKey is JVCALGHIHBTGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-17(18-9-5-4-6-10-18)27(16-19-11-7-8-12-21(19)25)24(28)26-22-14-13-20(29-2)15-23(22)30-3/h4-15,17H,16H2,1-3H3,(H,26,28).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea?
3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea has a molecular weight of 408.47 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(1-phenylethyl)urea is sourced from PubChem (CID 42696062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).