N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide

C19H21ClN2O4 — CID 17191702

IUPACN-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O4/c1-12-4-5-14(10-17(12)20)22-18(23)6-7-21-19(24)13-8-15(25-2)11-16(9-13)26-3/h4-5,8-11H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQHPXEGGVEUEEGV-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.42
Rot. Bonds7

About N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide (PubChem CID 17191702) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
PubChem CID17191702
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H21ClN2O4/c1-12-4-5-14(10-17(12)20)22-18(23)6-7-21-19(24)13-8-15(25-2)11-16(9-13)26-3/h4-5,8-11H,6-7H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQHPXEGGVEUEEGV-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-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

N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17191768
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2665844
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide
CID 109015255
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191638
N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191592
N-[4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26841961

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide (CID 17191702) is N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
The InChIKey is QHPXEGGVEUEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-12-4-5-14(10-17(12)20)22-18(23)6-7-21-19(24)13-8-15(25-2)11-16(9-13)26-3/h4-5,8-11H,6-7H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide?
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide has a molecular weight of 376.84 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17191702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).