3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea

C15H21ClN2O3 — CID 110896948

IUPAC3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCCCOc1ccc(NC(=O)N(CCO)C2CC2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-2-9-21-14-6-3-11(10-13(14)16)17-15(20)18(7-8-19)12-4-5-12/h3,6,10,12,19H,2,4-5,7-9H2,1H3,(H,17,20)
InChIKeyVMYBKZCUFZMMEA-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.12
Rot. Bonds7

About 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110896948) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110896948
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESCCCOc1ccc(NC(=O)N(CCO)C2CC2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-2-9-21-14-6-3-11(10-13(14)16)17-15(20)18(7-8-19)12-4-5-12/h3,6,10,12,19H,2,4-5,7-9H2,1H3,(H,17,20)
InChIKeyVMYBKZCUFZMMEA-UHFFFAOYSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea 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

3-[3-chloro-4-(dimethylamino)phenyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111437751
3-[(3-chloro-4-methoxyphenyl)carbamoyl-cyclopropylamino]propanoic acid
CID 61182925
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972
N-(3-chloro-4-propoxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424834
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
CID 107067581
(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
CID 131937126
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110896948) is 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is CCCOc1ccc(NC(=O)N(CCO)C2CC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is VMYBKZCUFZMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-9-21-14-6-3-11(10-13(14)16)17-15(20)18(7-8-19)12-4-5-12/h3,6,10,12,19H,2,4-5,7-9H2,1H3,(H,17,20).
What are the key properties of 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 312.80 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).