1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea

C18H21ClN2O2 — CID 74541947

IUPAC1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea
SMILESCC(OCCCNC(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-14(15-7-3-2-4-8-15)23-12-6-11-20-18(22)21-17-10-5-9-16(19)13-17/h2-5,7-10,13-14H,6,11-12H2,1H3,(H2,20,21,22)
InChIKeyZCFYNDCLQQELCD-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.63
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea

1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea (PubChem CID 74541947) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea
PubChem CID74541947
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea
SMILESCC(OCCCNC(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O2/c1-14(15-7-3-2-4-8-15)23-12-6-11-20-18(22)21-17-10-5-9-16(19)13-17/h2-5,7-10,13-14H,6,11-12H2,1H3,(H2,20,21,22)
InChIKeyZCFYNDCLQQELCD-UHFFFAOYSA-N
XLogP4.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(3-chlorophenyl)-N-[3-(1-phenylethoxy)propyl]cyclopropane-1-carboxamide
CID 55567582
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 5202458
1-(3,4-dimethylphenyl)-3-[3-[(1R)-1-phenylethoxy]propyl]thiourea
CID 8559853
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
N-[3-[[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]methyl]phenyl]acetamide
CID 111402913
N-[3-[2-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111403659
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea (CID 74541947) is 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea is CC(OCCCNC(=O)Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea?
The InChIKey is ZCFYNDCLQQELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-14(15-7-3-2-4-8-15)23-12-6-11-20-18(22)21-17-10-5-9-16(19)13-17/h2-5,7-10,13-14H,6,11-12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea?
1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea is sourced from PubChem (CID 74541947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).