1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea

C16H23FN2O3 — CID 99858814

IUPAC1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea
SMILESCOc1cc(CCNC(=O)NC[C@H]2CC[C@H](O)C2)ccc1F
InChIInChI=1S/C16H23FN2O3/c1-22-15-9-11(3-5-14(15)17)6-7-18-16(21)19-10-12-2-4-13(20)8-12/h3,5,9,12-13,20H,2,4,6-8,10H2,1H3,(H2,18,19,21)/t12-,13-/m0/s1
InChIKeyCRPINOUHMOZYNU-STQMWFEESA-N
MW310.37 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea

1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 99858814) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea
PubChem CID99858814
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea
SMILESCOc1cc(CCNC(=O)NC[C@H]2CC[C@H](O)C2)ccc1F
InChIInChI=1S/C16H23FN2O3/c1-22-15-9-11(3-5-14(15)17)6-7-18-16(21)19-10-12-2-4-13(20)8-12/h3,5,9,12-13,20H,2,4,6-8,10H2,1H3,(H2,18,19,21)/t12-,13-/m0/s1
InChIKeyCRPINOUHMOZYNU-STQMWFEESA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea with MolForge

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1R,3R)-3-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 94855250
1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(1R,2S)-2-hydroxycyclohexyl]urea
CID 97334344
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 99792914
1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 111486817
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99829031
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
1-[(3-hydroxycyclopentyl)methyl]-3-propylurea
CID 103207904
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
1-(cyclopropylmethyl)-3-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]urea
CID 122134358
1-[2-(3-fluorophenyl)ethyl]-3-[[(2S,4R)-2-methyloxan-4-yl]methyl]urea
CID 129471423
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea (CID 99858814) is 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea is COc1cc(CCNC(=O)NC[C@H]2CC[C@H](O)C2)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is CRPINOUHMOZYNU-STQMWFEESA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-22-15-9-11(3-5-14(15)17)6-7-18-16(21)19-10-12-2-4-13(20)8-12/h3,5,9,12-13,20H,2,4,6-8,10H2,1H3,(H2,18,19,21)/t12-,13-/m0/s1.
What are the key properties of 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea?
1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 310.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 99858814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).