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

C20H21Cl2F2N3O2 — CID 10203865

IUPAC1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1F)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C20H21Cl2F2N3O2/c21-17-4-1-13(7-18(17)22)11-27-5-6-29-16(12-27)10-26-20(28)25-9-14-2-3-15(23)8-19(14)24/h1-4,7-8,16H,5-6,9-12H2,(H2,25,26,28)
InChIKeyMVRPDZUVRGRUCB-UHFFFAOYSA-N
MW444.31 g/mol
LogP3.97
Rot. Bonds6

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

1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea (PubChem CID 10203865) has the molecular formula C20H21Cl2F2N3O2 and a molecular weight of 444.31 g/mol. Its IUPAC name is 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea
PubChem CID10203865
Molecular FormulaC20H21Cl2F2N3O2
Molecular Weight444.31 g/mol
Exact Mass443.10
IUPAC Name1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1F)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C20H21Cl2F2N3O2/c21-17-4-1-13(7-18(17)22)11-27-5-6-29-16(12-27)10-26-20(28)25-9-14-2-3-15(23)8-19(14)24/h1-4,7-8,16H,5-6,9-12H2,(H2,25,26,28)
InChIKeyMVRPDZUVRGRUCB-UHFFFAOYSA-N
XLogP3.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.31
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea with MolForge

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Related Compounds

GW-766994
CID 10218765
4-({[({[(2R)-4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}amino)carbonyl]amino}methyl)benzamide
CID 9825034
4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52933307
(S)-(4-(3,4-Dichlorobenzyl)morpholin-2-YL)methanamine
CID 10171585
[4-(3,4-Dichlorobenzyl)morpholin-2-yl]methylamine
CID 10308229
4-[(4-chlorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazine-1-carboxamide
CID 42924644
N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)morpholine-4-carboxamide
CID 56864251
N-[(3-chloro-4-fluorophenyl)methyl]-5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 128793580
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 10136373
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3,4-difluorophenyl)methyl]urea
CID 10160677
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 10184033
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 10202686

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea?
The IUPAC name of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea (CID 10203865) is 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea.
What is the SMILES notation for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea?
The canonical SMILES for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1F)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea?
The InChIKey is MVRPDZUVRGRUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2F2N3O2/c21-17-4-1-13(7-18(17)22)11-27-5-6-29-16(12-27)10-26-20(28)25-9-14-2-3-15(23)8-19(14)24/h1-4,7-8,16H,5-6,9-12H2,(H2,25,26,28).
What are the key properties of 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea?
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea has a molecular weight of 444.31 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea is sourced from PubChem (CID 10203865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).