N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

C19H22ClNO3 — CID 110438711

IUPACN-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)Nc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-12-14(20)7-6-8-15(12)21-18(22)19(2,3)13-9-10-16(23-4)17(11-13)24-5/h6-11H,1-5H3,(H,21,22)
InChIKeyOINSFCLITOHVOQ-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.58
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 110438711) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
PubChem CID110438711
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(C(C)(C)C(=O)Nc2cccc(Cl)c2C)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-12-14(20)7-6-8-15(12)21-18(22)19(2,3)13-9-10-16(23-4)17(11-13)24-5/h6-11H,1-5H3,(H,21,22)
InChIKeyOINSFCLITOHVOQ-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438772
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(5-chloro-2-methoxyphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198111
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)oxamide
CID 45000336
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 113216665
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
2-(3,4-dimethoxyphenyl)-2-methyl-N-pyridin-2-ylpropanamide
CID 110439552
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (CID 110438711) is N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is COc1ccc(C(C)(C)C(=O)Nc2cccc(Cl)c2C)cc1OC.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is OINSFCLITOHVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-12-14(20)7-6-8-15(12)21-18(22)19(2,3)13-9-10-16(23-4)17(11-13)24-5/h6-11H,1-5H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 347.84 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110438711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).