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

C14H19ClN2O2 — CID 111456067

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-9(18)5-6-16-14(19)17-13-8-12(13)10-3-2-4-11(15)7-10/h2-4,7,9,12-13,18H,5-6,8H2,1H3,(H2,16,17,19)
InChIKeyKBSFGNJAGKHHEF-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.27
Rot. Bonds5

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

1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea (PubChem CID 111456067) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
PubChem CID111456067
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-9(18)5-6-16-14(19)17-13-8-12(13)10-3-2-4-11(15)7-10/h2-4,7,9,12-13,18H,5-6,8H2,1H3,(H2,16,17,19)
InChIKeyKBSFGNJAGKHHEF-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97030496
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
CID 159264304
3-[[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122012885
1-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810588
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810586
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
1-[2-(2,6-dichlorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 3323199
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359275
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
1-[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)urea
CID 97211780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea (CID 111456067) is 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC1CC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea?
The InChIKey is KBSFGNJAGKHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(18)5-6-16-14(19)17-13-8-12(13)10-3-2-4-11(15)7-10/h2-4,7,9,12-13,18H,5-6,8H2,1H3,(H2,16,17,19).
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea?
1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea has a molecular weight of 282.77 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111456067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).