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

C14H20F2N2O3 — CID 75521625

IUPAC3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
SMILESCc1ccc(NC(=O)N(CCO)C(C)C)cc1OC(F)F
InChIInChI=1S/C14H20F2N2O3/c1-9(2)18(6-7-19)14(20)17-11-5-4-10(3)12(8-11)21-13(15)16/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)
InChIKeyGLVGYWYBBQZGNC-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.83
Rot. Bonds6

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

3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea (PubChem CID 75521625) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
PubChem CID75521625
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
SMILESCc1ccc(NC(=O)N(CCO)C(C)C)cc1OC(F)F
InChIInChI=1S/C14H20F2N2O3/c1-9(2)18(6-7-19)14(20)17-11-5-4-10(3)12(8-11)21-13(15)16/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)
InChIKeyGLVGYWYBBQZGNC-UHFFFAOYSA-N
XLogP2.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-3-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 75505419
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
1-(2-hydroxyethyl)-1-propan-2-yl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 75521639
1-(3-hydroxypropyl)-3-[4-methyl-3-(4-methylpentoxy)phenyl]-1-(1-phenylethyl)urea
CID 123870244
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
methyl 2-[(3-chloro-4-methylphenyl)carbamoyl-propan-2-ylamino]acetate
CID 60970548
N-[2-(difluoromethoxy)-4-methylphenyl]-2,2,2-trifluoroacetamide;N-[3-(difluoromethoxy)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 159203655

Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea?
The IUPAC name of 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea (CID 75521625) is 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea?
The canonical SMILES for 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea is Cc1ccc(NC(=O)N(CCO)C(C)C)cc1OC(F)F.
What is the InChIKey of 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea?
The InChIKey is GLVGYWYBBQZGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-9(2)18(6-7-19)14(20)17-11-5-4-10(3)12(8-11)21-13(15)16/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20).
What are the key properties of 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea?
3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea has a molecular weight of 302.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)-4-methylphenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea is sourced from PubChem (CID 75521625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).