3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C21H25ClFN3O2 — CID 4184098

IUPAC3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1
InChIInChI=1S/C21H25ClFN3O2/c22-18-5-2-7-20(15-18)24-21(27)26(16-17-4-1-6-19(23)14-17)9-3-8-25-10-12-28-13-11-25/h1-2,4-7,14-15H,3,8-13,16H2,(H,24,27)
InChIKeyMGBAYSHSBKYJAA-UHFFFAOYSA-N
MW405.90 g/mol
LogP4.24
Rot. Bonds7

About 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 4184098) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
PubChem CID4184098
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1
InChIInChI=1S/C21H25ClFN3O2/c22-18-5-2-7-20(15-18)24-21(27)26(16-17-4-1-6-19(23)14-17)9-3-8-25-10-12-28-13-11-25/h1-2,4-7,14-15H,3,8-13,16H2,(H,24,27)
InChIKeyMGBAYSHSBKYJAA-UHFFFAOYSA-N
XLogP4.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 5011395
1-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 17042756
3-(3-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42705031
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4255945
1-[(3-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)thiourea
CID 3628977
3-(3-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 649139
3-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670194
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222
3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 1170554
3-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42701252
3-(2,4-dichlorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 17344296

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 4184098) is 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea is O=C(Nc1cccc(Cl)c1)N(CCCN1CCOCC1)Cc1cccc(F)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is MGBAYSHSBKYJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O2/c22-18-5-2-7-20(15-18)24-21(27)26(16-17-4-1-6-19(23)14-17)9-3-8-25-10-12-28-13-11-25/h1-2,4-7,14-15H,3,8-13,16H2,(H,24,27).
What are the key properties of 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 405.90 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 4184098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).