1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea

C16H16F2N2O2 — CID 32528960

IUPAC1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O2/c1-20(10-11-3-4-12(17)9-15(11)18)16(21)19-13-5-7-14(22-2)8-6-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFMUAWILQOCAETO-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.64
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea

1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea (PubChem CID 32528960) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
PubChem CID32528960
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(NC(=O)N(C)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O2/c1-20(10-11-3-4-12(17)9-15(11)18)16(21)19-13-5-7-14(22-2)8-6-13/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyFMUAWILQOCAETO-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
N-[(2,4-difluorophenyl)methyl]-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 134003047
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(3,5-difluorophenyl)-1-methylurea
CID 112825322
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-methoxyphenyl)-1-methylurea
CID 30937905

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea (CID 32528960) is 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea is COc1ccc(NC(=O)N(C)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
The InChIKey is FMUAWILQOCAETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-20(10-11-3-4-12(17)9-15(11)18)16(21)19-13-5-7-14(22-2)8-6-13/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea?
1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea has a molecular weight of 306.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 32528960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).