1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea

C15H13ClF2N2O3 — CID 54161267

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C15H13ClF2N2O3/c1-22-13-7-14(23-2)12(6-9(13)16)20-15(21)19-8-3-4-10(17)11(18)5-8/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyOOOITPLFNKFKRQ-UHFFFAOYSA-N
MW342.73 g/mol
LogP4.28
Rot. Bonds4

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea

1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea (PubChem CID 54161267) has the molecular formula C15H13ClF2N2O3 and a molecular weight of 342.73 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
PubChem CID54161267
Molecular FormulaC15H13ClF2N2O3
Molecular Weight342.73 g/mol
Exact Mass342.06
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
SMILESCOc1cc(OC)c(NC(=O)Nc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C15H13ClF2N2O3/c1-22-13-7-14(23-2)12(6-9(13)16)20-15(21)19-8-3-4-10(17)11(18)5-8/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyOOOITPLFNKFKRQ-UHFFFAOYSA-N
XLogP4.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 10336896
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257
1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
CID 19676032
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea (CID 54161267) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea is COc1cc(OC)c(NC(=O)Nc2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea?
The InChIKey is OOOITPLFNKFKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O3/c1-22-13-7-14(23-2)12(6-9(13)16)20-15(21)19-8-3-4-10(17)11(18)5-8/h3-7H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea has a molecular weight of 342.73 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea is sourced from PubChem (CID 54161267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).