1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea

C14H20ClN3O — CID 113215393

IUPAC1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-18(2)10-9-16-13(19)17-14(7-8-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyKZKWFVOPNBZBTJ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.19
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea

1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea (PubChem CID 113215393) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea
PubChem CID113215393
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H20ClN3O/c1-18(2)10-9-16-13(19)17-14(7-8-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyKZKWFVOPNBZBTJ-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
CID 113215454
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113215461
1-butyl-3-[1-(4-chlorophenyl)cyclopropyl]-1-methylurea
CID 113215456
N-[1-(4-chlorophenyl)cyclopropyl]butanamide
CID 113091058
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
1-pentyl-3-(1-phenylcyclopropyl)urea
CID 110490775
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate
CID 110490928
4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50980610
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(4-chlorophenyl)cyclobutyl]propanamide
CID 56581609
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea (CID 113215393) is 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is KZKWFVOPNBZBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(2)10-9-16-13(19)17-14(7-8-14)11-3-5-12(15)6-4-11/h3-6H,7-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea?
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 281.79 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 113215393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).