1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea

C16H15ClF2N2O4 — CID 1297847

IUPAC1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC
InChIInChI=1S/C16H15ClF2N2O4/c1-23-13-6-4-10(8-14(13)24-2)21-16(22)20-9-3-5-12(11(17)7-9)25-15(18)19/h3-8,15H,1-2H3,(H2,20,21,22)
InChIKeyZOMBKVXLBMUSRQ-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.60
Rot. Bonds6

About 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea (PubChem CID 1297847) has the molecular formula C16H15ClF2N2O4 and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
PubChem CID1297847
Molecular FormulaC16H15ClF2N2O4
Molecular Weight372.76 g/mol
Exact Mass372.07
IUPAC Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC
InChIInChI=1S/C16H15ClF2N2O4/c1-23-13-6-4-10(8-14(13)24-2)21-16(22)20-9-3-5-12(11(17)7-9)25-15(18)19/h3-8,15H,1-2H3,(H2,20,21,22)
InChIKeyZOMBKVXLBMUSRQ-UHFFFAOYSA-N
XLogP4.60
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 2207233
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78804386
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea (CID 1297847) is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC.
What is the InChIKey of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is ZOMBKVXLBMUSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O4/c1-23-13-6-4-10(8-14(13)24-2)21-16(22)20-9-3-5-12(11(17)7-9)25-15(18)19/h3-8,15H,1-2H3,(H2,20,21,22).
What are the key properties of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea?
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 372.76 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 1297847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).