3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea

C24H24ClFN4O3 — CID 42705518

IUPAC3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea
SMILESCCOc1ccc(NC(=O)NCCN(C(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-2-33-22-13-9-19(10-14-22)28-23(31)27-15-16-30(21-11-5-18(26)6-12-21)24(32)29-20-7-3-17(25)4-8-20/h3-14H,2,15-16H2,1H3,(H,29,32)(H2,27,28,31)
InChIKeyDLRQMAUAKUPQPK-UHFFFAOYSA-N
MW470.93 g/mol
LogP5.74
Rot. Bonds8

About 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea

3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea (PubChem CID 42705518) has the molecular formula C24H24ClFN4O3 and a molecular weight of 470.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea
PubChem CID42705518
Molecular FormulaC24H24ClFN4O3
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea
SMILESCCOc1ccc(NC(=O)NCCN(C(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H24ClFN4O3/c1-2-33-22-13-9-19(10-14-22)28-23(31)27-15-16-30(21-11-5-18(26)6-12-21)24(32)29-20-7-3-17(25)4-8-20/h3-14H,2,15-16H2,1H3,(H,29,32)(H2,27,28,31)
InChIKeyDLRQMAUAKUPQPK-UHFFFAOYSA-N
XLogP5.74
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.93
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)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-[3-[(4-ethoxyphenyl)carbamoylamino]propyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)urea
CID 42705745
1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-3-(2-fluorophenyl)-1-(4-phenoxyphenyl)urea
CID 42725951
2-chloro-N-[2-[N-[(4-ethoxyphenyl)carbamoyl]-4-fluoroanilino]ethyl]-2-phenylacetamide
CID 42707148
1-[3-(butylcarbamoylamino)propyl]-3-(4-chlorophenyl)-1-(4-fluorophenyl)urea
CID 42704493
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[3-[(2,4-difluorophenyl)carbamoylamino]propyl]-3-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)urea
CID 42707075
1-(4-fluorophenyl)-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]-3-(4-nitrophenyl)urea
CID 4233640
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
N-[2-[N-[(4-chlorophenyl)carbamoyl]-4-fluoroanilino]ethyl]naphthalene-2-carboxamide
CID 42705494
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
3-(2-fluorophenyl)-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 42726113
N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea (CID 42705518) is 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea is CCOc1ccc(NC(=O)NCCN(C(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea?
The InChIKey is DLRQMAUAKUPQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3/c1-2-33-22-13-9-19(10-14-22)28-23(31)27-15-16-30(21-11-5-18(26)6-12-21)24(32)29-20-7-3-17(25)4-8-20/h3-14H,2,15-16H2,1H3,(H,29,32)(H2,27,28,31).
What are the key properties of 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea?
3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea has a molecular weight of 470.93 g/mol, XLogP of 5.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-1-(4-fluorophenyl)urea is sourced from PubChem (CID 42705518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).