1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea

C14H19ClN2O3 — CID 71992522

IUPAC1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCC1CCCC1O
InChIInChI=1S/C14H19ClN2O3/c1-20-13-10(15)5-3-6-11(13)17-14(19)16-8-9-4-2-7-12(9)18/h3,5-6,9,12,18H,2,4,7-8H2,1H3,(H2,16,17,19)
InChIKeyQCMKDTZHUISKFX-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea

1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea (PubChem CID 71992522) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
PubChem CID71992522
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCC1CCCC1O
InChIInChI=1S/C14H19ClN2O3/c1-20-13-10(15)5-3-6-11(13)17-14(19)16-8-9-4-2-7-12(9)18/h3,5-6,9,12,18H,2,4,7-8H2,1H3,(H2,16,17,19)
InChIKeyQCMKDTZHUISKFX-UHFFFAOYSA-N
XLogP2.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
1-(3-chloro-2-methoxyphenyl)-3-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]urea
CID 71973206
1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
CID 129422140
1-(3-chloro-2-methoxyphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976344
2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 103480889
1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 60577294
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95177667
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
CID 69012648
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
1-(3-chloro-2-methoxyphenyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111103684

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea (CID 71992522) is 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea is COc1c(Cl)cccc1NC(=O)NCC1CCCC1O.
What is the InChIKey of 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
The InChIKey is QCMKDTZHUISKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-20-13-10(15)5-3-6-11(13)17-14(19)16-8-9-4-2-7-12(9)18/h3,5-6,9,12,18H,2,4,7-8H2,1H3,(H2,16,17,19).
What are the key properties of 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea?
1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea has a molecular weight of 298.77 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyphenyl)-3-[(2-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 71992522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).