1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea

C12H17FN2O2 — CID 51080192

IUPAC1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C12H17FN2O2/c1-8-6-10(13)4-5-11(8)15-12(16)14-9(2)7-17-3/h4-6,9H,7H2,1-3H3,(H2,14,15,16)
InChIKeyNLVGKUXKBJJFFI-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.29
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea

1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea (PubChem CID 51080192) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
PubChem CID51080192
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C12H17FN2O2/c1-8-6-10(13)4-5-11(8)15-12(16)14-9(2)7-17-3/h4-6,9H,7H2,1-3H3,(H2,14,15,16)
InChIKeyNLVGKUXKBJJFFI-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61189908
1-(2-chloro-4-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51074651
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
2-chloro-N-[(4-fluoro-2-methylphenyl)carbamoyl]propanamide
CID 43146314
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(4-fluoro-2-methylphenyl)-3-iodourea
CID 135276363
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
2-(2-bromo-4-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957320
2-[(4-fluoro-2-methylphenyl)carbamoylamino]pentanedioic acid
CID 61191085
(2S)-2-[(4-fluoro-2-methylphenyl)carbamoylamino]pentanedioic acid
CID 61189391
N-(4-fluoro-2-methylphenyl)-N'-propan-2-yloxamide
CID 47147961

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea (CID 51080192) is 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea is COCC(C)NC(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea?
The InChIKey is NLVGKUXKBJJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8-6-10(13)4-5-11(8)15-12(16)14-9(2)7-17-3/h4-6,9H,7H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea?
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea has a molecular weight of 240.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea is sourced from PubChem (CID 51080192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).