1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea

C12H15ClN2O — CID 110490719

IUPAC1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
SMILESCCNC(=O)NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O/c1-2-14-11(16)15-12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16)
InChIKeyIGWIDGGBPBMBRQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.65
Rot. Bonds3

About 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea

1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea (PubChem CID 110490719) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
PubChem CID110490719
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
SMILESCCNC(=O)NC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O/c1-2-14-11(16)15-12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16)
InChIKeyIGWIDGGBPBMBRQ-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
4-[[1-(3-chlorophenyl)cyclopropyl]carbamoylamino]butanoic acid
CID 122023166
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
N-[1-(3-chlorophenyl)cyclopentyl]-2-(methylcarbamoylamino)acetamide
CID 75393371
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113215461
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
methyl 2-[[1-(3-chlorophenyl)cyclopropyl]amino]acetate
CID 75443074
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea?
The IUPAC name of 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea (CID 110490719) is 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea?
The canonical SMILES for 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea is CCNC(=O)NC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea?
The InChIKey is IGWIDGGBPBMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-14-11(16)15-12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea?
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea has a molecular weight of 238.72 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea is sourced from PubChem (CID 110490719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).