3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide

C19H22ClNO3 — CID 5217703

IUPAC3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2CC)cc(Cl)c1OCC
InChIInChI=1S/C19H22ClNO3/c1-4-13-9-7-8-10-16(13)21-19(22)14-11-15(20)18(24-6-3)17(12-14)23-5-2/h7-12H,4-6H2,1-3H3,(H,21,22)
InChIKeyHABDXTIAVXUBQQ-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.95
Rot. Bonds7

About 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide

3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide (PubChem CID 5217703) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
PubChem CID5217703
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccccc2CC)cc(Cl)c1OCC
InChIInChI=1S/C19H22ClNO3/c1-4-13-9-7-8-10-16(13)21-19(22)14-11-15(20)18(24-6-3)17(12-14)23-5-2/h7-12H,4-6H2,1-3H3,(H,21,22)
InChIKeyHABDXTIAVXUBQQ-UHFFFAOYSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
CID 3878206
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
3-chloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4,5-dimethoxybenzamide
CID 40730715
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide?
The IUPAC name of 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide (CID 5217703) is 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccccc2CC)cc(Cl)c1OCC.
What is the InChIKey of 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide?
The InChIKey is HABDXTIAVXUBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-13-9-7-8-10-16(13)21-19(22)14-11-15(20)18(24-6-3)17(12-14)23-5-2/h7-12H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide?
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 5217703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).