1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea

C16H23ClFN3O — CID 71906155

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CNC(=O)N(C)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H23ClFN3O/c1-20-7-3-4-13(10-20)9-19-16(22)21(2)11-12-5-6-14(17)15(18)8-12/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,22)
InChIKeyRSFVLQBFHQDSCS-UHFFFAOYSA-N
MW327.83 g/mol
LogP2.96
Rot. Bonds4

About 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea

1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea (PubChem CID 71906155) has the molecular formula C16H23ClFN3O and a molecular weight of 327.83 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea
PubChem CID71906155
Molecular FormulaC16H23ClFN3O
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CNC(=O)N(C)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H23ClFN3O/c1-20-7-3-4-13(10-20)9-19-16(22)21(2)11-12-5-6-14(17)15(18)8-12/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,22)
InChIKeyRSFVLQBFHQDSCS-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Lozilurea
CID 68907
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
N-(4-chlorophenethyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643589
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
N,N'-Di(p-chlorobenzyl)urea
CID 253257
N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
N-(4-chlorobenzyl)urea
CID 1484508
4-[(2-chloro-4-fluorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 44177478
4-[(2-fluoro-4-chlorophenyl)(phenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 45277748
1-(4-chlorobenzyl)-N-(propan-2-yl)piperidine-4-carboxamide
CID 762829
1-[(4-Chlorophenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 822893

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea (CID 71906155) is 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea is CN1CCCC(CNC(=O)N(C)Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea?
The InChIKey is RSFVLQBFHQDSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3O/c1-20-7-3-4-13(10-20)9-19-16(22)21(2)11-12-5-6-14(17)15(18)8-12/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,22).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea?
1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea has a molecular weight of 327.83 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-1-methyl-3-[(1-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 71906155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).