1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea

C13H19ClN2O3 — CID 47349978

IUPAC1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-3-6-15-13(17)16-10-4-5-12(11(14)9-10)19-8-7-18-2/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,17)
InChIKeyFENYQYBYZPMSJA-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.90
Rot. Bonds7

About 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea

1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea (PubChem CID 47349978) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
PubChem CID47349978
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-3-6-15-13(17)16-10-4-5-12(11(14)9-10)19-8-7-18-2/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,17)
InChIKeyFENYQYBYZPMSJA-UHFFFAOYSA-N
XLogP2.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 175055653
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077131
1-(3-chloro-4-propoxyphenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111473934
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea
CID 60554213
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
4-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077420
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea?
The IUPAC name of 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea (CID 47349978) is 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea?
The canonical SMILES for 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(OCCOC)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea?
The InChIKey is FENYQYBYZPMSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-3-6-15-13(17)16-10-4-5-12(11(14)9-10)19-8-7-18-2/h4-5,9H,3,6-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea?
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea has a molecular weight of 286.76 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea is sourced from PubChem (CID 47349978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).