1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea

C14H20F2N2O3 — CID 111976913

IUPAC1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1ccc(NC(=O)NC(C)(C)CO)cc1OCC(F)F
InChIInChI=1S/C14H20F2N2O3/c1-9-4-5-10(6-11(9)21-7-12(15)16)17-13(20)18-14(2,3)8-19/h4-6,12,19H,7-8H2,1-3H3,(H2,17,18,20)
InChIKeyYKQQUNDMANXTHQ-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.53
Rot. Bonds6

About 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 111976913) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID111976913
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCc1ccc(NC(=O)NC(C)(C)CO)cc1OCC(F)F
InChIInChI=1S/C14H20F2N2O3/c1-9-4-5-10(6-11(9)21-7-12(15)16)17-13(20)18-14(2,3)8-19/h4-6,12,19H,7-8H2,1-3H3,(H2,17,18,20)
InChIKeyYKQQUNDMANXTHQ-UHFFFAOYSA-N
XLogP2.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119768192
2-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 122157649
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119768212
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
CID 119314646
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95326792
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119768211
(2S,4S)-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630165
1-[[3-(2,2-difluoroethoxy)-4-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122078854
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
CID 94818789

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 111976913) is 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea is Cc1ccc(NC(=O)NC(C)(C)CO)cc1OCC(F)F.
What is the InChIKey of 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is YKQQUNDMANXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-9-4-5-10(6-11(9)21-7-12(15)16)17-13(20)18-14(2,3)8-19/h4-6,12,19H,7-8H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 302.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 111976913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).