1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea

C23H24ClFN2OS — CID 141110706

IUPAC1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(CCCc1cccc(Cl)c1)CCCc1cccs1
InChIInChI=1S/C23H24ClFN2OS/c24-19-7-1-5-18(17-19)6-2-14-27(15-3-8-22-9-4-16-29-22)23(28)26-21-12-10-20(25)11-13-21/h1,4-5,7,9-13,16-17H,2-3,6,8,14-15H2,(H,26,28)
InChIKeyMKODBJPITULKJF-UHFFFAOYSA-N
MW430.98 g/mol
LogP6.64
Rot. Bonds9

About 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea

1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea (PubChem CID 141110706) has the molecular formula C23H24ClFN2OS and a molecular weight of 430.98 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea
PubChem CID141110706
Molecular FormulaC23H24ClFN2OS
Molecular Weight430.98 g/mol
Exact Mass430.13
IUPAC Name1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(CCCc1cccc(Cl)c1)CCCc1cccs1
InChIInChI=1S/C23H24ClFN2OS/c24-19-7-1-5-18(17-19)6-2-14-27(15-3-8-22-9-4-16-29-22)23(28)26-21-12-10-20(25)11-13-21/h1,4-5,7,9-13,16-17H,2-3,6,8,14-15H2,(H,26,28)
InChIKeyMKODBJPITULKJF-UHFFFAOYSA-N
XLogP6.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea with MolForge

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Related Compounds

N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 57271986
3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 22510485
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
2-[(4-chlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5001282
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[butyl-[(3-chlorophenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5224406
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 4184098
2-[(3-chloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4055377

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea (CID 141110706) is 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea is O=C(Nc1ccc(F)cc1)N(CCCc1cccc(Cl)c1)CCCc1cccs1.
What is the InChIKey of 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea?
The InChIKey is MKODBJPITULKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2OS/c24-19-7-1-5-18(17-19)6-2-14-27(15-3-8-22-9-4-16-29-22)23(28)26-21-12-10-20(25)11-13-21/h1,4-5,7,9-13,16-17H,2-3,6,8,14-15H2,(H,26,28).
What are the key properties of 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea?
1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea has a molecular weight of 430.98 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 141110706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).