1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea

C18H25ClN2O2 — CID 170581158

IUPAC1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
SMILESO=C(NC1CCC(O)C1)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C18H25ClN2O2/c19-14-7-3-6-13(10-14)17(12-4-1-2-5-12)21-18(23)20-15-8-9-16(22)11-15/h3,6-7,10,12,15-17,22H,1-2,4-5,8-9,11H2,(H2,20,21,23)
InChIKeyYBWGHMVOMBZNLZ-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.78
Rot. Bonds4

About 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea

1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea (PubChem CID 170581158) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
PubChem CID170581158
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
SMILESO=C(NC1CCC(O)C1)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C18H25ClN2O2/c19-14-7-3-6-13(10-14)17(12-4-1-2-5-12)21-18(23)20-15-8-9-16(22)11-15/h3,6-7,10,12,15-17,22H,1-2,4-5,8-9,11H2,(H2,20,21,23)
InChIKeyYBWGHMVOMBZNLZ-UHFFFAOYSA-N
XLogP3.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 170579337
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(1-acetylpiperidin-4-yl)-3-[(S)-(3-chlorophenyl)-[(3S)-oxolan-3-yl]methyl]urea
CID 170578486
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]urea
CID 170578911
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
CID 69089641
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-[(5-methyl-1,2-oxazol-4-yl)methyl]urea;cyclopentane;ethane
CID 170580426
3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
CID 95983840

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea?
The IUPAC name of 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea (CID 170581158) is 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea.
What is the SMILES notation for 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea?
The canonical SMILES for 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea is O=C(NC1CCC(O)C1)NC(c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea?
The InChIKey is YBWGHMVOMBZNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-14-7-3-6-13(10-14)17(12-4-1-2-5-12)21-18(23)20-15-8-9-16(22)11-15/h3,6-7,10,12,15-17,22H,1-2,4-5,8-9,11H2,(H2,20,21,23).
What are the key properties of 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea?
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea has a molecular weight of 336.86 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea is sourced from PubChem (CID 170581158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).