3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide

C24H32ClNO3 — CID 18224809

IUPAC3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OCC
InChIInChI=1S/C24H32ClNO3/c1-7-12-29-23-20(25)13-17(14-21(23)28-8-2)24(27)26-22-18(15(3)4)10-9-11-19(22)16(5)6/h9-11,13-16H,7-8,12H2,1-6H3,(H,26,27)
InChIKeyZQSGRVGUYIODJW-UHFFFAOYSA-N
MW417.98 g/mol
LogP7.03
Rot. Bonds9

About 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide

3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide (PubChem CID 18224809) has the molecular formula C24H32ClNO3 and a molecular weight of 417.98 g/mol. Its IUPAC name is 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
PubChem CID18224809
Molecular FormulaC24H32ClNO3
Molecular Weight417.98 g/mol
Exact Mass417.21
IUPAC Name3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OCC
InChIInChI=1S/C24H32ClNO3/c1-7-12-29-23-20(25)13-17(14-21(23)28-8-2)24(27)26-22-18(15(3)4)10-9-11-19(22)16(5)6/h9-11,13-16H,7-8,12H2,1-6H3,(H,26,27)
InChIKeyZQSGRVGUYIODJW-UHFFFAOYSA-N
XLogP7.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.98
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-N-(5-chloro-2-pyridinyl)-5-ethoxy-4-propoxybenzamide
CID 34135714
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 120506829
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26877166

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide (CID 18224809) is 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OCC.
What is the InChIKey of 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide?
The InChIKey is ZQSGRVGUYIODJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO3/c1-7-12-29-23-20(25)13-17(14-21(23)28-8-2)24(27)26-22-18(15(3)4)10-9-11-19(22)16(5)6/h9-11,13-16H,7-8,12H2,1-6H3,(H,26,27).
What are the key properties of 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide?
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide has a molecular weight of 417.98 g/mol, XLogP of 7.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 18224809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).