1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea

C17H18ClFN2O — CID 51274165

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c1-21(12-14-2-6-15(18)7-3-14)17(22)20-11-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyYSJVHLOBDDPGSI-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.86
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea

1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea (PubChem CID 51274165) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
PubChem CID51274165
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O/c1-21(12-14-2-6-15(18)7-3-14)17(22)20-11-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyYSJVHLOBDDPGSI-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 9266283
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33402548
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
3-[2-(diethylsulfamoyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 56782564
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18083569
(4-chlorophenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 23366848
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-phenylethyl)propanamide
CID 133213149
N-benzyl-N'-[2-(4-chlorophenyl)ethyl]-N,2,2-trimethylpropanediamide
CID 108962265

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea (CID 51274165) is 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea is CN(Cc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is YSJVHLOBDDPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-21(12-14-2-6-15(18)7-3-14)17(22)20-11-10-13-4-8-16(19)9-5-13/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 320.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 51274165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).