1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea

C16H15ClF2N2O — CID 34719827

IUPAC1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cccc(Cl)c1)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H15ClF2N2O/c1-21(10-11-3-2-4-13(17)5-11)16(22)20-9-12-6-14(18)8-15(19)7-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyZLZBCDRIIRTHQU-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.96
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea

1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea (PubChem CID 34719827) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
PubChem CID34719827
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1cccc(Cl)c1)C(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H15ClF2N2O/c1-21(10-11-3-2-4-13(17)5-11)16(22)20-9-12-6-14(18)8-15(19)7-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyZLZBCDRIIRTHQU-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 68907
1,3-Bis[(2-chlorophenyl)methyl]urea
CID 623497
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1-[1-(3-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10667579
N,N'-Di(p-chlorobenzyl)urea
CID 253257
N-(4-chlorobenzyl)-N'-cyclohexylurea
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[(2-Chlorophenyl)methyl]urea
CID 1484506
N-(4-chlorobenzyl)urea
CID 1484508
1-[(4-Chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 822893
1-(1-Benzyl-piperidin-4-yl)-4-(3-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643589
N-(4-chlorobenzyl)-N'-styrylurea
CID 11958838

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea (CID 34719827) is 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea is CN(Cc1cccc(Cl)c1)C(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
The InChIKey is ZLZBCDRIIRTHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-21(10-11-3-2-4-13(17)5-11)16(22)20-9-12-6-14(18)8-15(19)7-12/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea?
1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea has a molecular weight of 324.76 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 34719827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).