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

C15H13BrF2N2O — CID 86856279

IUPAC1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea
SMILESCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2N2O/c1-20(9-10-5-7-11(16)8-6-10)15(21)19-13-4-2-3-12(17)14(13)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyVFRDHNHZKVLGIA-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.39
Rot. Bonds3

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

1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea (PubChem CID 86856279) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea
PubChem CID86856279
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea
SMILESCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C15H13BrF2N2O/c1-20(9-10-5-7-11(16)8-6-10)15(21)19-13-4-2-3-12(17)14(13)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyVFRDHNHZKVLGIA-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
1-[(4-bromophenyl)methyl]-3-[(2-fluorophenyl)methyl]-1-methylurea
CID 38945216
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
3-[3-bromo-2-(methoxymethyl)phenyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 60616564
1-[(4-bromothiophen-2-yl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 47278857
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 8009004
1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
CID 60969760
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
CID 86856678

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea (CID 86856279) is 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea is CN(Cc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea?
The InChIKey is VFRDHNHZKVLGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-20(9-10-5-7-11(16)8-6-10)15(21)19-13-4-2-3-12(17)14(13)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea?
1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea has a molecular weight of 355.18 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea is sourced from PubChem (CID 86856279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).