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

C14H10Cl2F2N2O2 — CID 8002775

IUPAC1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10Cl2F2N2O2/c15-8-2-1-3-9(6-8)19-14(21)20-10-4-5-12(11(16)7-10)22-13(17)18/h1-7,13H,(H2,19,20,21)
InChIKeyWIFAAKGHHNVGHI-UHFFFAOYSA-N
MW347.15 g/mol
LogP5.24
Rot. Bonds4

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

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 8002775) has the molecular formula C14H10Cl2F2N2O2 and a molecular weight of 347.15 g/mol. Its IUPAC name is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
PubChem CID8002775
Molecular FormulaC14H10Cl2F2N2O2
Molecular Weight347.15 g/mol
Exact Mass346.01
IUPAC Name1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H10Cl2F2N2O2/c15-8-2-1-3-9(6-8)19-14(21)20-10-4-5-12(11(16)7-10)22-13(17)18/h1-7,13H,(H2,19,20,21)
InChIKeyWIFAAKGHHNVGHI-UHFFFAOYSA-N
XLogP5.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.15
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
CID 26247982
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
CID 9103360
1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 90211641
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
3-chloro-N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 28555690
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea (CID 8002775) is 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is WIFAAKGHHNVGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O2/c15-8-2-1-3-9(6-8)19-14(21)20-10-4-5-12(11(16)7-10)22-13(17)18/h1-7,13H,(H2,19,20,21).
What are the key properties of 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea?
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 347.15 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 8002775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).