1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea

C17H17F3N2O2 — CID 95297580

IUPAC1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-24-11-13-9-5-6-10-14(13)21-16(23)22-15(17(18,19)20)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyWUBFYFPKWOKTMX-HNNXBMFYSA-N
MW338.33 g/mol
LogP4.26
Rot. Bonds5

About 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea

1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea (PubChem CID 95297580) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
PubChem CID95297580
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
SMILESCOCc1ccccc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2O2/c1-24-11-13-9-5-6-10-14(13)21-16(23)22-15(17(18,19)20)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyWUBFYFPKWOKTMX-HNNXBMFYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95316666
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CID 104897233
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
1-[2-(methoxymethyl)phenyl]-3-methylurea
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2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 82847223
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
3-amino-4-[2-(methoxymethyl)anilino]-4-oxobutanoic acid
CID 64896269
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea (CID 95297580) is 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea is COCc1ccccc1NC(=O)N[C@@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea?
The InChIKey is WUBFYFPKWOKTMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-24-11-13-9-5-6-10-14(13)21-16(23)22-15(17(18,19)20)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H2,21,22,23)/t15-/m0/s1.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea?
1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea has a molecular weight of 338.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea is sourced from PubChem (CID 95297580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).