N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide

C21H27ClN3O+ — CID 7535503

IUPACN-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide
SMILESCC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H26ClN3O/c1-4-24-7-9-25(10-8-24)20-6-5-18(22)14-19(20)23-21(26)17-12-15(2)11-16(3)13-17/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,26)/p+1
InChIKeyUDVHTGXGKRQXGT-UHFFFAOYSA-O
MW372.92 g/mol
LogP2.93
Rot. Bonds4

About N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide

N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide (PubChem CID 7535503) has the molecular formula C21H27ClN3O+ and a molecular weight of 372.92 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide
PubChem CID7535503
Molecular FormulaC21H27ClN3O+
Molecular Weight372.92 g/mol
Exact Mass372.18
IUPAC NameN-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide
SMILESCC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C21H26ClN3O/c1-4-24-7-9-25(10-8-24)20-6-5-18(22)14-19(20)23-21(26)17-12-15(2)11-16(3)13-17/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,26)/p+1
InChIKeyUDVHTGXGKRQXGT-UHFFFAOYSA-O
XLogP2.93
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide 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-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 7491968
N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitrobenzamide
CID 7491934
N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 7491939
methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-methylbenzoyl)amino]benzoate
CID 7341186
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 3993483
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
CID 7328875
methyl 3-[(3,4-dimethylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
CID 7328907
methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-fluorobenzoyl)amino]benzoate
CID 7328895
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
methyl 3-[(3,4-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
CID 7346082
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7491974
N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-chlorophenyl)acetamide
CID 6985418

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide (CID 7535503) is N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide is CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide?
The InChIKey is UDVHTGXGKRQXGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26ClN3O/c1-4-24-7-9-25(10-8-24)20-6-5-18(22)14-19(20)23-21(26)17-12-15(2)11-16(3)13-17/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,26)/p+1.
What are the key properties of N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide?
N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide has a molecular weight of 372.92 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 7535503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).