1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea

C12H14Cl2N2O — CID 6929498

IUPAC1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea
SMILESO=C(NCC[C@@H]1CC1(Cl)Cl)Nc1ccccc1
InChIInChI=1S/C12H14Cl2N2O/c13-12(14)8-9(12)6-7-15-11(17)16-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,15,16,17)/t9-/m1/s1
InChIKeyCYOADUWVWUWXDC-SECBINFHSA-N
MW273.16 g/mol
LogP3.39
Rot. Bonds4

About 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea

1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea (PubChem CID 6929498) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea
PubChem CID6929498
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea
SMILESO=C(NCC[C@@H]1CC1(Cl)Cl)Nc1ccccc1
InChIInChI=1S/C12H14Cl2N2O/c13-12(14)8-9(12)6-7-15-11(17)16-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,15,16,17)/t9-/m1/s1
InChIKeyCYOADUWVWUWXDC-SECBINFHSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-(anilinosulfanylmethyl)-3-phenylurea
CID 87475456
1-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-[2-(2,2-difluorocyclopropyl)ethyl]urea
CID 136554205
1-[2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-3-phenylurea
CID 98114313
1-dodecyl-3-phenylurea
CID 3697946
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea (CID 6929498) is 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea is O=C(NCC[C@@H]1CC1(Cl)Cl)Nc1ccccc1.
What is the InChIKey of 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea?
The InChIKey is CYOADUWVWUWXDC-SECBINFHSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-12(14)8-9(12)6-7-15-11(17)16-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,15,16,17)/t9-/m1/s1.
What are the key properties of 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea?
1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea has a molecular weight of 273.16 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-3-phenylurea is sourced from PubChem (CID 6929498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).