1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea

C16H15ClF2N2O2 — CID 24612567

IUPAC1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C16H15ClF2N2O2/c1-10-6-7-12(8-13(10)17)21-16(22)20-9-11-4-2-3-5-14(11)23-15(18)19/h2-8,15H,9H2,1H3,(H2,20,21,22)
InChIKeyNAHHMBXIMUNPIB-UHFFFAOYSA-N
MW340.76 g/mol
LogP4.57
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea

1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea (PubChem CID 24612567) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
PubChem CID24612567
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C16H15ClF2N2O2/c1-10-6-7-12(8-13(10)17)21-16(22)20-9-11-4-2-3-5-14(11)23-15(18)19/h2-8,15H,9H2,1H3,(H2,20,21,22)
InChIKeyNAHHMBXIMUNPIB-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]urea
CID 47033178
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
CID 74225609
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3449670
N-(3-chloro-4-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962953
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea (CID 24612567) is 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea is Cc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
The InChIKey is NAHHMBXIMUNPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-10-6-7-12(8-13(10)17)21-16(22)20-9-11-4-2-3-5-14(11)23-15(18)19/h2-8,15H,9H2,1H3,(H2,20,21,22).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea?
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea has a molecular weight of 340.76 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 24612567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).