3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C14H20ClN3O2 — CID 111437751

IUPAC3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCN(C)c1ccc(NC(=O)N(CCO)C2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-17(2)13-6-3-10(9-12(13)15)16-14(20)18(7-8-19)11-4-5-11/h3,6,9,11,19H,4-5,7-8H2,1-2H3,(H,16,20)
InChIKeyCZUZAYREDBAQER-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.39
Rot. Bonds5

About 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 111437751) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID111437751
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCN(C)c1ccc(NC(=O)N(CCO)C2CC2)cc1Cl
InChIInChI=1S/C14H20ClN3O2/c1-17(2)13-6-3-10(9-12(13)15)16-14(20)18(7-8-19)11-4-5-11/h3,6,9,11,19H,4-5,7-8H2,1-2H3,(H,16,20)
InChIKeyCZUZAYREDBAQER-UHFFFAOYSA-N
XLogP2.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896948
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
CID 110890918
3-(3-acetylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 60765143
1-cyclopropyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)urea
CID 43429992
3-[(3-chloro-4-methoxyphenyl)carbamoyl-cyclopropylamino]propanoic acid
CID 61182925
1-cyclopropyl-1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)urea
CID 111840828
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
3-[3-chloro-4-(dimethylamino)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111926374
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-(3-acetylphenyl)-1-cyclobutyl-1-(2-hydroxyethyl)urea
CID 102675463

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 111437751) is 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is CN(C)c1ccc(NC(=O)N(CCO)C2CC2)cc1Cl.
What is the InChIKey of 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is CZUZAYREDBAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-17(2)13-6-3-10(9-12(13)15)16-14(20)18(7-8-19)11-4-5-11/h3,6,9,11,19H,4-5,7-8H2,1-2H3,(H,16,20).
What are the key properties of 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 297.79 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111437751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).