[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea

C21H20ClN3O2 — CID 58019940

IUPAC[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea
SMILESCOc1ccc(N(C)c2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-25(17-8-6-16(7-9-17)24-21(23)26)18-10-11-20(27-2)19(13-18)14-4-3-5-15(22)12-14/h3-13H,1-2H3,(H3,23,24,26)
InChIKeyVMGXBFSBTRMFAF-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.27
Rot. Bonds5

About [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea

[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea (PubChem CID 58019940) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea.

Molecular Properties

Compound Name[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea
PubChem CID58019940
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea
SMILESCOc1ccc(N(C)c2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-25(17-8-6-16(7-9-17)24-21(23)26)18-10-11-20(27-2)19(13-18)14-4-3-5-15(22)12-14/h3-13H,1-2H3,(H3,23,24,26)
InChIKeyVMGXBFSBTRMFAF-UHFFFAOYSA-N
XLogP5.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
[4-[2-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]-2-hydroxyethyl]phenyl]urea
CID 68790612
(4-aminophenyl)-[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methanone;[4-[3-(3-chlorophenyl)-2-fluoro-4-methoxybenzoyl]phenyl]urea
CID 159705006
4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline
CID 147076032
(3,4-dimethoxyphenyl)urea
CID 21197430
4-[3-(3-chlorophenyl)-4-methoxyphenyl]sulfanyl-N-methoxyaniline;ethane
CID 143810210
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
4-(5-chloro-2-methoxyphenyl)-N-methylaniline
CID 116962443
6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 174665315

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea?
The IUPAC name of [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea (CID 58019940) is [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea.
What is the SMILES notation for [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea?
The canonical SMILES for [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea is COc1ccc(N(C)c2ccc(NC(N)=O)cc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea?
The InChIKey is VMGXBFSBTRMFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-25(17-8-6-16(7-9-17)24-21(23)26)18-10-11-20(27-2)19(13-18)14-4-3-5-15(22)12-14/h3-13H,1-2H3,(H3,23,24,26).
What are the key properties of [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea?
[4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea has a molecular weight of 381.86 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-chlorophenyl)-4-methoxy-N-methylanilino]phenyl]urea is sourced from PubChem (CID 58019940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).