3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea

C19H21F2N3O2 — CID 46649991

IUPAC3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O2/c1-23(19(25)22-18-7-4-15(20)12-17(18)21)13-14-2-5-16(6-3-14)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyMQIPUWITCJATKS-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.47
Rot. Bonds4

About 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea

3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea (PubChem CID 46649991) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
PubChem CID46649991
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O2/c1-23(19(25)22-18-7-4-15(20)12-17(18)21)13-14-2-5-16(6-3-14)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyMQIPUWITCJATKS-UHFFFAOYSA-N
XLogP3.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 29481344
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530785
3-[(4-fluoro-2-morpholin-4-ylphenyl)carbamoyl-methylamino]propanoic acid
CID 122095228
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874975
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-thiophen-2-ylphenyl)urea
CID 78874480
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea (CID 46649991) is 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is MQIPUWITCJATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-23(19(25)22-18-7-4-15(20)12-17(18)21)13-14-2-5-16(6-3-14)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 361.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 46649991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).