1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea

C22H21ClN2O2 — CID 17133168

IUPAC1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O2/c23-18-11-13-19(14-12-18)24-22(26)25-20-9-4-10-21(16-20)27-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H2,24,25,26)
InChIKeyALHBSDXVSJDNAX-UHFFFAOYSA-N
MW380.88 g/mol
LogP6.00
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea

1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea (PubChem CID 17133168) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
PubChem CID17133168
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O2/c23-18-11-13-19(14-12-18)24-22(26)25-20-9-4-10-21(16-20)27-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H2,24,25,26)
InChIKeyALHBSDXVSJDNAX-UHFFFAOYSA-N
XLogP6.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 56.00
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-(3-phenylpropoxy)phenyl]urea
CID 17133229
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
CID 17133169
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133220

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea (CID 17133168) is 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(OCCCc2ccccc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea?
The InChIKey is ALHBSDXVSJDNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-18-11-13-19(14-12-18)24-22(26)25-20-9-4-10-21(16-20)27-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16H,5,8,15H2,(H2,24,25,26).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea has a molecular weight of 380.88 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea is sourced from PubChem (CID 17133168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).