1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea

C10H11Cl2FN2O — CID 116657360

IUPAC1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FN2O/c1-5(2)14-10(16)15-9-7(11)3-6(13)4-8(9)12/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyLLKNFXPKKJPOGG-UHFFFAOYSA-N
MW265.12 g/mol
LogP3.66
Rot. Bonds2

About 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea

1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea (PubChem CID 116657360) has the molecular formula C10H11Cl2FN2O and a molecular weight of 265.12 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
PubChem CID116657360
Molecular FormulaC10H11Cl2FN2O
Molecular Weight265.12 g/mol
Exact Mass264.02
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H11Cl2FN2O/c1-5(2)14-10(16)15-9-7(11)3-6(13)4-8(9)12/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyLLKNFXPKKJPOGG-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
(2R)-2-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83079335
(2S)-2-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 83077965
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107614486
N-(2,6-dichloro-4-fluorophenyl)-4-(propan-2-ylamino)butanamide
CID 83079200
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 83074350
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
3-cyclopropyl-3-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]propanoic acid
CID 83079198
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107614541
2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
CID 83079339
(2R)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107614557

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea (CID 116657360) is 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea?
The InChIKey is LLKNFXPKKJPOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2O/c1-5(2)14-10(16)15-9-7(11)3-6(13)4-8(9)12/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea?
1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea has a molecular weight of 265.12 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 116657360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).