N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide

C19H23ClN2O4 — CID 23317216

IUPACN-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)CN(C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H23ClN2O4/c1-22(15-7-5-14(20)6-8-15)12-16(23)11-21-19(24)13-4-9-17(25-2)18(10-13)26-3/h4-10,16,23H,11-12H2,1-3H3,(H,21,24)
InChIKeyWDQPJQINHTXUTN-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.58
Rot. Bonds8

About N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide

N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide (PubChem CID 23317216) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide
PubChem CID23317216
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC NameN-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)CN(C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H23ClN2O4/c1-22(15-7-5-14(20)6-8-15)12-16(23)11-21-19(24)13-4-9-17(25-2)18(10-13)26-3/h4-10,16,23H,11-12H2,1-3H3,(H,21,24)
InChIKeyWDQPJQINHTXUTN-UHFFFAOYSA-N
XLogP2.58
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide 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

4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
[(1R)-2-[(3,4-dimethoxybenzoyl)amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7496032
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzamide
CID 31827609
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide (CID 23317216) is N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(O)CN(C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
The InChIKey is WDQPJQINHTXUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-22(15-7-5-14(20)6-8-15)12-16(23)11-21-19(24)13-4-9-17(25-2)18(10-13)26-3/h4-10,16,23H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide?
N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide has a molecular weight of 378.86 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-N-methylanilino)-2-hydroxypropyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 23317216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).