1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea

C10H11ClF2N2O — CID 115871702

IUPAC1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-5(2)14-10(16)15-9-7(11)3-6(12)4-8(9)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyMGJQXCLGFQRZNT-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea

1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea (PubChem CID 115871702) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
PubChem CID115871702
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC Name1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C10H11ClF2N2O/c1-5(2)14-10(16)15-9-7(11)3-6(12)4-8(9)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyMGJQXCLGFQRZNT-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichloro-4-fluorophenyl)-3-propan-2-ylurea
CID 116657360
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 83074350
(2R)-2-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83079335
(2S)-2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 83073260
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
CID 83087152
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 83088109
1-butyl-3-(2-chloro-4,6-difluorophenyl)urea
CID 115871717
3-[[(2-chloro-4,6-difluorophenyl)carbamoylamino]methyl]pentanoic acid
CID 83072644
(2S)-2-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 83077965
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea (CID 115871702) is 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea?
The InChIKey is MGJQXCLGFQRZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c1-5(2)14-10(16)15-9-7(11)3-6(12)4-8(9)13/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea?
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea has a molecular weight of 248.66 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea is sourced from PubChem (CID 115871702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).