1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea

C20H16ClF2N3O — CID 58818107

IUPAC1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea
SMILESCCc1c(Cl)cccc1-c1cccc(N(C(N)=O)c2c(F)cccc2F)n1
InChIInChI=1S/C20H16ClF2N3O/c1-2-12-13(6-3-7-14(12)21)17-10-5-11-18(25-17)26(20(24)27)19-15(22)8-4-9-16(19)23/h3-11H,2H2,1H3,(H2,24,27)
InChIKeyDEHAEARSTSOEDX-UHFFFAOYSA-N
MW387.82 g/mol
LogP5.46
Rot. Bonds4

About 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea

1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea (PubChem CID 58818107) has the molecular formula C20H16ClF2N3O and a molecular weight of 387.82 g/mol. Its IUPAC name is 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea.

Molecular Properties

Compound Name1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea
PubChem CID58818107
Molecular FormulaC20H16ClF2N3O
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea
SMILESCCc1c(Cl)cccc1-c1cccc(N(C(N)=O)c2c(F)cccc2F)n1
InChIInChI=1S/C20H16ClF2N3O/c1-2-12-13(6-3-7-14(12)21)17-10-5-11-18(25-17)26(20(24)27)19-15(22)8-4-9-16(19)23/h3-11H,2H2,1H3,(H2,24,27)
InChIKeyDEHAEARSTSOEDX-UHFFFAOYSA-N
XLogP5.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.82
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
1-(2-chloro-6-fluorophenyl)-1-[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]urea
CID 22156182
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
1,2-dichlorobenzene;1,1-dimethylurea
CID 161139113
2-(2-chloro-6-fluorophenyl)-2-[6-(2-formylphenyl)-2-pyridinyl]acetamide
CID 21354124
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
ethyl 4-(2-chloro-6-fluorophenyl)-2-ethyl-3-oxobutanoate
CID 63022493
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
3-amino-2-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899828
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea?
The IUPAC name of 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea (CID 58818107) is 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea.
What is the SMILES notation for 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea?
The canonical SMILES for 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea is CCc1c(Cl)cccc1-c1cccc(N(C(N)=O)c2c(F)cccc2F)n1.
What is the InChIKey of 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea?
The InChIKey is DEHAEARSTSOEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O/c1-2-12-13(6-3-7-14(12)21)17-10-5-11-18(25-17)26(20(24)27)19-15(22)8-4-9-16(19)23/h3-11H,2H2,1H3,(H2,24,27).
What are the key properties of 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea?
1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea has a molecular weight of 387.82 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-chloro-2-ethylphenyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea is sourced from PubChem (CID 58818107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).