1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea

C23H23ClN3O+ — CID 140731858

IUPAC1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cc[n+](C3CCCC3)cc2)c1
InChIInChI=1S/C23H22ClN3O/c24-19-8-10-20(11-9-19)25-23(28)26-21-5-3-4-18(16-21)17-12-14-27(15-13-17)22-6-1-2-7-22/h3-5,8-16,22H,1-2,6-7H2,(H-,25,26,28)/p+1
InChIKeySGPHHHOBJPXSSY-UHFFFAOYSA-O
MW392.91 g/mol
LogP6.05
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea (PubChem CID 140731858) has the molecular formula C23H23ClN3O+ and a molecular weight of 392.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea
PubChem CID140731858
Molecular FormulaC23H23ClN3O+
Molecular Weight392.91 g/mol
Exact Mass392.15
IUPAC Name1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cc[n+](C3CCCC3)cc2)c1
InChIInChI=1S/C23H22ClN3O/c24-19-8-10-20(11-9-19)25-23(28)26-21-5-3-4-18(16-21)17-12-14-27(15-13-17)22-6-1-2-7-22/h3-5,8-16,22H,1-2,6-7H2,(H-,25,26,28)/p+1
InChIKeySGPHHHOBJPXSSY-UHFFFAOYSA-O
XLogP6.05
TPSA45.01 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]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

1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
CID 123176042
CID 123176042
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea
CID 144796939
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
CID 135376412
2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 118467814
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(4-chlorophenyl)-3-(3-methylsulfonylphenyl)urea
CID 110774767

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea (CID 140731858) is 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cc[n+](C3CCCC3)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea?
The InChIKey is SGPHHHOBJPXSSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H22ClN3O/c24-19-8-10-20(11-9-19)25-23(28)26-21-5-3-4-18(16-21)17-12-14-27(15-13-17)22-6-1-2-7-22/h3-5,8-16,22H,1-2,6-7H2,(H-,25,26,28)/p+1.
What are the key properties of 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea has a molecular weight of 392.91 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(1-cyclopentylpyridin-1-ium-4-yl)phenyl]urea is sourced from PubChem (CID 140731858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).