N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide

C18H20ClNO2 — CID 32760905

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C18H20ClNO2/c1-12-6-5-7-16(13(12)2)18(21)20(3)11-14-10-15(19)8-9-17(14)22-4/h5-10H,11H2,1-4H3
InChIKeySKJJCVJGDSJKRY-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.24
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide (PubChem CID 32760905) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
PubChem CID32760905
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1cccc(C)c1C
InChIInChI=1S/C18H20ClNO2/c1-12-6-5-7-16(13(12)2)18(21)20(3)11-14-10-15(19)8-9-17(14)22-4/h5-10H,11H2,1-4H3
InChIKeySKJJCVJGDSJKRY-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(difluoromethoxy)-N-methylbenzamide
CID 55416097
2-(2-amino-2-oxoethoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762843
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-[(5-chloro-2-methoxyphenyl)methyl]-3-cyano-N-methylbenzamide
CID 30857850
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95726095
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55417929
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide (CID 32760905) is N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide is COc1ccc(Cl)cc1CN(C)C(=O)c1cccc(C)c1C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide?
The InChIKey is SKJJCVJGDSJKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12-6-5-7-16(13(12)2)18(21)20(3)11-14-10-15(19)8-9-17(14)22-4/h5-10H,11H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide is sourced from PubChem (CID 32760905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).