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

C17H17Cl2FN2O — CID 9266283

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O/c1-22(11-13-4-7-15(18)16(19)10-13)17(23)21-9-8-12-2-5-14(20)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyBENRYUVTWLDEOZ-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.52
Rot. Bonds5

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

1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea (PubChem CID 9266283) has the molecular formula C17H17Cl2FN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
PubChem CID9266283
Molecular FormulaC17H17Cl2FN2O
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O/c1-22(11-13-4-7-15(18)16(19)10-13)17(23)21-9-8-12-2-5-14(20)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyBENRYUVTWLDEOZ-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 51274165
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
4-[[(3,4-dichlorophenyl)methyl-methylcarbamoyl]amino]butanoic acid
CID 122021758
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 30306692
[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 55319814
3-[[benzyl(methyl)carbamoyl]amino]-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 56580420
1-[(4-chloro-3-fluorophenyl)methyl]-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylurea
CID 71967374
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
N-butyl-4-[[[(3,4-dichlorophenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 112838032
1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 97328960
1-[(4-chlorophenyl)methyl]-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33402548
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea (CID 9266283) is 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
The InChIKey is BENRYUVTWLDEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O/c1-22(11-13-4-7-15(18)16(19)10-13)17(23)21-9-8-12-2-5-14(20)6-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea?
1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea has a molecular weight of 355.24 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 9266283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).