3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide

C21H26ClNO4 — CID 26414165

IUPAC3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1
InChIInChI=1S/C21H26ClNO4/c1-13(2)8-9-27-20-16(22)11-15(12-19(20)26-5)21(24)23-17-10-14(3)6-7-18(17)25-4/h6-7,10-13H,8-9H2,1-5H3,(H,23,24)
InChIKeyYJWREXHBUAJXQJ-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.34
Rot. Bonds8

About 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide

3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide (PubChem CID 26414165) has the molecular formula C21H26ClNO4 and a molecular weight of 391.90 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
PubChem CID26414165
Molecular FormulaC21H26ClNO4
Molecular Weight391.90 g/mol
Exact Mass391.16
IUPAC Name3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1
InChIInChI=1S/C21H26ClNO4/c1-13(2)8-9-27-20-16(22)11-15(12-19(20)26-5)21(24)23-17-10-14(3)6-7-18(17)25-4/h6-7,10-13H,8-9H2,1-5H3,(H,23,24)
InChIKeyYJWREXHBUAJXQJ-UHFFFAOYSA-N
XLogP5.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 120568985
N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 119421506
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521138
4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 82812467
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60606249
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088
3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
3-[[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249590
3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
CID 60575096
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide (CID 26414165) is 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide is COc1ccc(C)cc1NC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide?
The InChIKey is YJWREXHBUAJXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO4/c1-13(2)8-9-27-20-16(22)11-15(12-19(20)26-5)21(24)23-17-10-14(3)6-7-18(17)25-4/h6-7,10-13H,8-9H2,1-5H3,(H,23,24).
What are the key properties of 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide?
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide has a molecular weight of 391.90 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 26414165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).