1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea

C15H12BrClF2N2O2 — CID 1296841

IUPAC1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC(F)F)c1
InChIInChI=1S/C15H12BrClF2N2O2/c1-8-2-4-12(13(6-8)23-14(18)19)21-15(22)20-11-5-3-9(16)7-10(11)17/h2-7,14H,1H3,(H2,20,21,22)
InChIKeyMREKHOGOQCACTJ-UHFFFAOYSA-N
MW405.63 g/mol
LogP5.66
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea

1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea (PubChem CID 1296841) has the molecular formula C15H12BrClF2N2O2 and a molecular weight of 405.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea
PubChem CID1296841
Molecular FormulaC15H12BrClF2N2O2
Molecular Weight405.63 g/mol
Exact Mass403.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC(F)F)c1
InChIInChI=1S/C15H12BrClF2N2O2/c1-8-2-4-12(13(6-8)23-14(18)19)21-15(22)20-11-5-3-9(16)7-10(11)17/h2-7,14H,1H3,(H2,20,21,22)
InChIKeyMREKHOGOQCACTJ-UHFFFAOYSA-N
XLogP5.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.63
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
1-(4-bromo-2-chlorophenyl)-3-methylurea
CID 21161446
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
1-(4-bromo-2-chlorophenyl)-3-[4-(difluoromethoxy)-2-methylphenyl]thiourea
CID 2206459
4-bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
1-[2-(difluoromethoxy)-4-methylphenyl]-3-(3-nitrophenyl)urea
CID 971966
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea (CID 1296841) is 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Br)cc2Cl)c(OC(F)F)c1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea?
The InChIKey is MREKHOGOQCACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2N2O2/c1-8-2-4-12(13(6-8)23-14(18)19)21-15(22)20-11-5-3-9(16)7-10(11)17/h2-7,14H,1H3,(H2,20,21,22).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea?
1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea has a molecular weight of 405.63 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea is sourced from PubChem (CID 1296841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).