1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea

C13H19FN2O3 — CID 100666210

IUPAC1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
SMILESCOc1cc(F)cc(NC(=O)N[C@@H](C)[C@H](C)OC)c1
InChIInChI=1S/C13H19FN2O3/c1-8(9(2)18-3)15-13(17)16-11-5-10(14)6-12(7-11)19-4/h5-9H,1-4H3,(H2,15,16,17)/t8-,9-/m0/s1
InChIKeyOLKLCVROLNSUFX-IUCAKERBSA-N
MW270.30 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea

1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea (PubChem CID 100666210) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
PubChem CID100666210
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
SMILESCOc1cc(F)cc(NC(=O)N[C@@H](C)[C@H](C)OC)c1
InChIInChI=1S/C13H19FN2O3/c1-8(9(2)18-3)15-13(17)16-11-5-10(14)6-12(7-11)19-4/h5-9H,1-4H3,(H2,15,16,17)/t8-,9-/m0/s1
InChIKeyOLKLCVROLNSUFX-IUCAKERBSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea with MolForge

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Related Compounds

(2S)-2-[(3-fluoro-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 113364397
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
methyl 2-[(3,5-dimethoxyphenyl)carbamoylamino]propanoate
CID 5151052
N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
1-[3,5-dichloro-2-(hydroxymethyl)phenyl]-3-(3-fluoro-5-methoxyphenyl)urea
CID 156854733
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
3-(3-fluoro-5-methoxyphenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99716494
1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505155
2-[(3-bromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 82860111

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea?
The IUPAC name of 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea (CID 100666210) is 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea.
What is the SMILES notation for 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea?
The canonical SMILES for 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea is COc1cc(F)cc(NC(=O)N[C@@H](C)[C@H](C)OC)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea?
The InChIKey is OLKLCVROLNSUFX-IUCAKERBSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-8(9(2)18-3)15-13(17)16-11-5-10(14)6-12(7-11)19-4/h5-9H,1-4H3,(H2,15,16,17)/t8-,9-/m0/s1.
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea?
1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea has a molecular weight of 270.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea is sourced from PubChem (CID 100666210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).