2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide

C19H22ClNO3 — CID 110441966

IUPAC2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-19(2,13-9-10-16(23-3)17(11-13)24-4)12-21-18(22)14-7-5-6-8-15(14)20/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyFLTSCNFNSFOQCX-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.06
Rot. Bonds6

About 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide

2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 110441966) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
PubChem CID110441966
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-19(2,13-9-10-16(23-3)17(11-13)24-4)12-21-18(22)14-7-5-6-8-15(14)20/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyFLTSCNFNSFOQCX-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 110436445
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide (CID 110441966) is 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide is COc1ccc(C(C)(C)CNC(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is FLTSCNFNSFOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-19(2,13-9-10-16(23-3)17(11-13)24-4)12-21-18(22)14-7-5-6-8-15(14)20/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide?
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 110441966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).