1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea

C18H19ClF2N2O3 — CID 38326031

IUPAC1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
SMILESCOc1ccc(CNC(=O)N(C)Cc2cccc(Cl)c2)cc1OC(F)F
InChIInChI=1S/C18H19ClF2N2O3/c1-23(11-13-4-3-5-14(19)8-13)18(24)22-10-12-6-7-15(25-2)16(9-12)26-17(20)21/h3-9,17H,10-11H2,1-2H3,(H,22,24)
InChIKeyUXOGWPBKCNTZNZ-UHFFFAOYSA-N
MW384.81 g/mol
LogP4.29
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea

1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea (PubChem CID 38326031) has the molecular formula C18H19ClF2N2O3 and a molecular weight of 384.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
PubChem CID38326031
Molecular FormulaC18H19ClF2N2O3
Molecular Weight384.81 g/mol
Exact Mass384.11
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
SMILESCOc1ccc(CNC(=O)N(C)Cc2cccc(Cl)c2)cc1OC(F)F
InChIInChI=1S/C18H19ClF2N2O3/c1-23(11-13-4-3-5-14(19)8-13)18(24)22-10-12-6-7-15(25-2)16(9-12)26-17(20)21/h3-9,17H,10-11H2,1-2H3,(H,22,24)
InChIKeyUXOGWPBKCNTZNZ-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
1-(cyclopentylmethyl)-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 86869175
1-[(3-chlorophenyl)methyl]-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-methylurea
CID 60605444
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
3-[(4-bromothiophen-2-yl)methyl]-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylurea
CID 55809265
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 55484556
3-[(3-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylurea
CID 17485093
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 87008091
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213414

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea (CID 38326031) is 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea is COc1ccc(CNC(=O)N(C)Cc2cccc(Cl)c2)cc1OC(F)F.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea?
The InChIKey is UXOGWPBKCNTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O3/c1-23(11-13-4-3-5-14(19)8-13)18(24)22-10-12-6-7-15(25-2)16(9-12)26-17(20)21/h3-9,17H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea?
1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea has a molecular weight of 384.81 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea is sourced from PubChem (CID 38326031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).