3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide

C17H18ClNO2 — CID 806791

IUPAC3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1Cl
InChIInChI=1S/C17H18ClNO2/c1-4-21-16-6-5-13(10-15(16)18)17(20)19-14-8-11(2)7-12(3)9-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyXKQQAUDSNDCHCZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.61
Rot. Bonds4

About 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide

3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide (PubChem CID 806791) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
PubChem CID806791
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1Cl
InChIInChI=1S/C17H18ClNO2/c1-4-21-16-6-5-13(10-15(16)18)17(20)19-14-8-11(2)7-12(3)9-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyXKQQAUDSNDCHCZ-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 86938466
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
CID 107074269
3-chloro-4-ethoxy-N-(6-methylpyridin-1-ium-2-yl)benzamide
CID 4694654
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[3-[(3-chloro-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1164621
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-3-chloro-4-ethoxybenzamide
CID 17104901
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide (CID 806791) is 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide?
The InChIKey is XKQQAUDSNDCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-4-21-16-6-5-13(10-15(16)18)17(20)19-14-8-11(2)7-12(3)9-14/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide?
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide is sourced from PubChem (CID 806791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).