1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea

C11H13F3N2O2 — CID 47261837

IUPAC1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C11H13F3N2O2/c1-6(2)15-11(17)16-7-3-4-9(8(12)5-7)18-10(13)14/h3-6,10H,1-2H3,(H2,15,16,17)
InChIKeyZQQDDERZLWSCDW-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea

1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea (PubChem CID 47261837) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
PubChem CID47261837
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C11H13F3N2O2/c1-6(2)15-11(17)16-7-3-4-9(8(12)5-7)18-10(13)14/h3-6,10H,1-2H3,(H2,15,16,17)
InChIKeyZQQDDERZLWSCDW-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774555
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
CID 51085552
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
CID 79346339
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,4-dimethylbenzamide
CID 87025999
(2S,3R)-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965870
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide
CID 87026041

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea (CID 47261837) is 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea?
The InChIKey is ZQQDDERZLWSCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6(2)15-11(17)16-7-3-4-9(8(12)5-7)18-10(13)14/h3-6,10H,1-2H3,(H2,15,16,17).
What are the key properties of 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea?
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea has a molecular weight of 262.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea is sourced from PubChem (CID 47261837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).