1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea

C14H19FN2O2 — CID 122134358

IUPAC1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1cc(CNC(=O)NCC2CC2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-19-9-12-6-11(4-5-13(12)15)8-17-14(18)16-7-10-2-3-10/h4-6,10H,2-3,7-9H2,1H3,(H2,16,17,18)
InChIKeyKEKKNACTDOIMQI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.18
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea

1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea (PubChem CID 122134358) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
PubChem CID122134358
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1cc(CNC(=O)NCC2CC2)ccc1F
InChIInChI=1S/C14H19FN2O2/c1-19-9-12-6-11(4-5-13(12)15)8-17-14(18)16-7-10-2-3-10/h4-6,10H,2-3,7-9H2,1H3,(H2,16,17,18)
InChIKeyKEKKNACTDOIMQI-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426880
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 119777512
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111121249
4-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]butanamide
CID 119320083
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119320080
(3S,4S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963469
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylpentanamide
CID 119777546
(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931537
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 99792914
1-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-[1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136529124
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119320067

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea (CID 122134358) is 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea is COCc1cc(CNC(=O)NCC2CC2)ccc1F.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is KEKKNACTDOIMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-9-12-6-11(4-5-13(12)15)8-17-14(18)16-7-10-2-3-10/h4-6,10H,2-3,7-9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea?
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 266.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 122134358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).