3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide

C16H17ClN2O2 — CID 28529683

IUPAC3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-6-14(15(21-2)8-13(10)17)19-9-11-4-3-5-12(7-11)16(18)20/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyTUIPCXRLGRHRMX-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.37
Rot. Bonds5

About 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide

3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide (PubChem CID 28529683) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
PubChem CID28529683
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
SMILESCOc1cc(Cl)c(C)cc1NCc1cccc(C(N)=O)c1
InChIInChI=1S/C16H17ClN2O2/c1-10-6-14(15(21-2)8-13(10)17)19-9-11-4-3-5-12(7-11)16(18)20/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyTUIPCXRLGRHRMX-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118337
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 108898583
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2636872

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide?
The IUPAC name of 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide (CID 28529683) is 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide?
The canonical SMILES for 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide is COc1cc(Cl)c(C)cc1NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide?
The InChIKey is TUIPCXRLGRHRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-6-14(15(21-2)8-13(10)17)19-9-11-4-3-5-12(7-11)16(18)20/h3-8,19H,9H2,1-2H3,(H2,18,20).
What are the key properties of 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide?
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide is sourced from PubChem (CID 28529683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).