1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea

C16H16ClFN2O2 — CID 108898583

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O2/c1-10-6-14(15(22-2)8-13(10)17)20-16(21)19-9-11-4-3-5-12(18)7-11/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyNAUICNMAJYQKAO-UHFFFAOYSA-N
MW322.77 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea (PubChem CID 108898583) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
PubChem CID108898583
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H16ClFN2O2/c1-10-6-14(15(22-2)8-13(10)17)20-16(21)19-9-11-4-3-5-12(18)7-11/h3-8H,9H2,1-2H3,(H2,19,20,21)
InChIKeyNAUICNMAJYQKAO-UHFFFAOYSA-N
XLogP4.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906343
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001609
N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
CID 18133169
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-ethylphenyl)urea
CID 108991505
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea (CID 108898583) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea is COc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(F)c1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is NAUICNMAJYQKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-10-6-14(15(22-2)8-13(10)17)20-16(21)19-9-11-4-3-5-12(18)7-11/h3-8H,9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 322.77 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 108898583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).