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

C16H16ClFN2O — CID 86986587

IUPAC3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
SMILESCc1c(Cl)cccc1NC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-11-14(17)7-4-8-15(11)19-16(21)20(2)10-12-5-3-6-13(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMSIWKUQUFNKABR-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.45
Rot. Bonds3

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

3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea (PubChem CID 86986587) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
PubChem CID86986587
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
SMILESCc1c(Cl)cccc1NC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O/c1-11-14(17)7-4-8-15(11)19-16(21)20(2)10-12-5-3-6-13(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMSIWKUQUFNKABR-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
CID 60969760
N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2658580
N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
2-chloro-N-[(3-fluorophenyl)methyl-methylcarbamoyl]propanamide
CID 43328957
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea (CID 86986587) is 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea is Cc1c(Cl)cccc1NC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
The InChIKey is MSIWKUQUFNKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11-14(17)7-4-8-15(11)19-16(21)20(2)10-12-5-3-6-13(18)9-12/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea?
3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea has a molecular weight of 306.77 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea is sourced from PubChem (CID 86986587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).