1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea

C13H17ClN2O2 — CID 110490727

IUPAC1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O2/c1-9(17)8-15-12(18)16-13(5-6-13)10-3-2-4-11(14)7-10/h2-4,7,9,17H,5-6,8H2,1H3,(H2,15,16,18)
InChIKeyQDRSGJDPFAKKNB-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.01
Rot. Bonds4

About 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea

1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea (PubChem CID 110490727) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
PubChem CID110490727
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2O2/c1-9(17)8-15-12(18)16-13(5-6-13)10-3-2-4-11(14)7-10/h2-4,7,9,17H,5-6,8H2,1H3,(H2,15,16,18)
InChIKeyQDRSGJDPFAKKNB-UHFFFAOYSA-N
XLogP2.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
CID 120501433
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
1-[1-(3-aminophenyl)cyclopropyl]-3-(2,2-dimethoxyethyl)urea
CID 110491014
N-[1-(3-chlorophenyl)cyclopentyl]-2-(methylcarbamoylamino)acetamide
CID 75393371
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113215461
N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea (CID 110490727) is 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)NC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea?
The InChIKey is QDRSGJDPFAKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(17)8-15-12(18)16-13(5-6-13)10-3-2-4-11(14)7-10/h2-4,7,9,17H,5-6,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea?
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea has a molecular weight of 268.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 110490727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).