1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea

C12H15Cl2N3O — CID 107654056

IUPAC1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(NCCNC1CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c13-8-5-9(14)7-11(6-8)17-12(18)16-4-3-15-10-1-2-10/h5-7,10,15H,1-4H2,(H2,16,17,18)
InChIKeyZVERCDXVBBBZGJ-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.87
Rot. Bonds5

About 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea

1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 107654056) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
PubChem CID107654056
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(NCCNC1CC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O/c13-8-5-9(14)7-11(6-8)17-12(18)16-4-3-15-10-1-2-10/h5-7,10,15H,1-4H2,(H2,16,17,18)
InChIKeyZVERCDXVBBBZGJ-UHFFFAOYSA-N
XLogP2.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cycloheptylamino)-N-(3,5-dichlorophenyl)propanamide
CID 109031654
2-(cyclopropylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60647336
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
3-[(3,5-dichlorophenyl)carbamoylamino]propanoic acid
CID 28511134
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
1-[4-(cyclopentylamino)-2-[4-(3,4-dichlorophenyl)phenyl]butyl]-3-(3,5-dichlorophenyl)urea
CID 23567347
1-(3,5-dichlorophenyl)-3-pent-4-ynylurea
CID 103709982
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568
1-[[(3,5-dichlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312361

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea (CID 107654056) is 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea is O=C(NCCNC1CC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is ZVERCDXVBBBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c13-8-5-9(14)7-11(6-8)17-12(18)16-4-3-15-10-1-2-10/h5-7,10,15H,1-4H2,(H2,16,17,18).
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea?
1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 288.18 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107654056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).