4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide

C20H23ClN2O3 — CID 17432466

IUPAC4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-26-18-10-4-15(5-11-18)12-14-22-19(24)3-2-13-23-20(25)16-6-8-17(21)9-7-16/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyBNLKNOMHYRMQIA-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.22
Rot. Bonds9

About 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide

4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide (PubChem CID 17432466) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
PubChem CID17432466
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-26-18-10-4-15(5-11-18)12-14-22-19(24)3-2-13-23-20(25)16-6-8-17(21)9-7-16/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyBNLKNOMHYRMQIA-UHFFFAOYSA-N
XLogP3.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide 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-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide (CID 17432466) is 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide is COc1ccc(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide?
The InChIKey is BNLKNOMHYRMQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-26-18-10-4-15(5-11-18)12-14-22-19(24)3-2-13-23-20(25)16-6-8-17(21)9-7-16/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 17432466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).