1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea

C42H45ClFN7O4 — CID 69346336

IUPAC1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccnc2)cc1.O=C(Nc1cccc(OCCN2CCOCC2)c1)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C24H31FN4O3.C18H14ClN3O/c25-22-18-20(7-8-23(22)29-9-2-1-3-10-29)27-24(30)26-19-5-4-6-21(17-19)32-16-13-28-11-14-31-15-12-28;19-15-5-9-17(10-6-15)22-18(23)21-16-7-3-13(4-8-16)14-2-1-11-20-12-14/h4-8,17-18H,1-3,9-16H2,(H2,26,27,30);1-12H,(H2,21,22,23)
InChIKeyFADPJFJNOLQHKH-UHFFFAOYSA-N
MW766.32 g/mol
LogP9.22
Rot. Bonds10

About 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea

1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea (PubChem CID 69346336) has the molecular formula C42H45ClFN7O4 and a molecular weight of 766.32 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
PubChem CID69346336
Molecular FormulaC42H45ClFN7O4
Molecular Weight766.32 g/mol
Exact Mass765.32
IUPAC Name1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccnc2)cc1.O=C(Nc1cccc(OCCN2CCOCC2)c1)Nc1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C24H31FN4O3.C18H14ClN3O/c25-22-18-20(7-8-23(22)29-9-2-1-3-10-29)27-24(30)26-19-5-4-6-21(17-19)32-16-13-28-11-14-31-15-12-28;19-15-5-9-17(10-6-15)22-18(23)21-16-7-3-13(4-8-16)14-2-1-11-20-12-14/h4-8,17-18H,1-3,9-16H2,(H2,26,27,30);1-12H,(H2,21,22,23)
InChIKeyFADPJFJNOLQHKH-UHFFFAOYSA-N
XLogP9.22
TPSA120.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.32
LogP ≤ 59.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)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-(3-fluoro-4-piperidin-1-ylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 11718559
1-(4-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-2-piperidin-1-ylpyrimidin-4-yl]urea
CID 71193790
1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-3-(4-pyridin-3-ylphenyl)urea
CID 59840335
1-(3-chlorophenyl)-3-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]urea
CID 84559837
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 48795694
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 139434928
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
5-[(3-methoxyphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1064254
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55890052
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea (CID 69346336) is 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccnc2)cc1.O=C(Nc1cccc(OCCN2CCOCC2)c1)Nc1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea?
The InChIKey is FADPJFJNOLQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3.C18H14ClN3O/c25-22-18-20(7-8-23(22)29-9-2-1-3-10-29)27-24(30)26-19-5-4-6-21(17-19)32-16-13-28-11-14-31-15-12-28;19-15-5-9-17(10-6-15)22-18(23)21-16-7-3-13(4-8-16)14-2-1-11-20-12-14/h4-8,17-18H,1-3,9-16H2,(H2,26,27,30);1-12H,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea?
1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea has a molecular weight of 766.32 g/mol, XLogP of 9.22, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-pyridin-3-ylphenyl)urea;1-(3-fluoro-4-piperidin-1-ylphenyl)-3-[3-(2-morpholin-4-ylethoxy)phenyl]urea is sourced from PubChem (CID 69346336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).