1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea

C11H13ClF2N2O2 — CID 110007147

IUPAC1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF2N2O2/c12-8-3-1-7(2-4-8)9(6-17)16-11(18)15-5-10(13)14/h1-4,9-10,17H,5-6H2,(H2,15,16,18)
InChIKeyCFONBLOADUVVSE-UHFFFAOYSA-N
MW278.69 g/mol
LogP1.94
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea

1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea (PubChem CID 110007147) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea
PubChem CID110007147
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF2N2O2/c12-8-3-1-7(2-4-8)9(6-17)16-11(18)15-5-10(13)14/h1-4,9-10,17H,5-6H2,(H2,15,16,18)
InChIKeyCFONBLOADUVVSE-UHFFFAOYSA-N
XLogP1.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-difluorophenyl)acetamide
CID 110004284
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-(1-hydroxypropan-2-yl)urea
CID 111507071
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide
CID 110004531
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
N-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110004631
N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea (CID 110007147) is 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea is O=C(NCC(F)F)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea?
The InChIKey is CFONBLOADUVVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c12-8-3-1-7(2-4-8)9(6-17)16-11(18)15-5-10(13)14/h1-4,9-10,17H,5-6H2,(H2,15,16,18).
What are the key properties of 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea?
1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea has a molecular weight of 278.69 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,2-difluoroethyl)urea is sourced from PubChem (CID 110007147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).