N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide

C18H21ClN2O3 — CID 55337128

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)ccc1OC
InChIInChI=1S/C18H21ClN2O3/c1-5-24-17-10-12(6-9-16(17)23-4)18(22)20-14-11-13(19)7-8-15(14)21(2)3/h6-11H,5H2,1-4H3,(H,20,22)
InChIKeyINMWVKQINFNJRW-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.07
Rot. Bonds6

About N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 55337128) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
PubChem CID55337128
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)ccc1OC
InChIInChI=1S/C18H21ClN2O3/c1-5-24-17-10-12(6-9-16(17)23-4)18(22)20-14-11-13(19)7-8-15(14)21(2)3/h6-11H,5H2,1-4H3,(H,20,22)
InChIKeyINMWVKQINFNJRW-UHFFFAOYSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide 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

N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 35355595
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55337257
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide (CID 55337128) is N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2cc(Cl)ccc2N(C)C)ccc1OC.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is INMWVKQINFNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-5-24-17-10-12(6-9-16(17)23-4)18(22)20-14-11-13(19)7-8-15(14)21(2)3/h6-11H,5H2,1-4H3,(H,20,22).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 348.83 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 55337128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).