1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea

C16H15ClF2N2O — CID 38148599

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClF2N2O/c1-21(10-13-14(17)3-2-4-15(13)19)16(22)20-9-11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyAZCMVHOUBBTZJA-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.96
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea

1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea (PubChem CID 38148599) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
PubChem CID38148599
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
SMILESCN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H15ClF2N2O/c1-21(10-13-14(17)3-2-4-15(13)19)16(22)20-9-11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyAZCMVHOUBBTZJA-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

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lozilurea
CID 68907
1,3-Bis[(2-chlorophenyl)methyl]urea
CID 623497
Cumyluron
CID 11709249
N,N'-Di(p-chlorobenzyl)urea
CID 253257
N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
[(2-Chlorophenyl)methyl]urea
CID 1484506
N-(4-chlorobenzyl)urea
CID 1484508
4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177478
[(2-Chlorophenyl)-(4-chlorophenyl)methyl]urea
CID 2852174
1-[(4-Chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 822893
N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
1-[1-(2-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10571927

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea (CID 38148599) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea is CN(Cc1c(F)cccc1Cl)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
The InChIKey is AZCMVHOUBBTZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-21(10-13-14(17)3-2-4-15(13)19)16(22)20-9-11-5-7-12(18)8-6-11/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea?
1-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)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-[(2-chloro-6-fluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 38148599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).