N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide

C23H30ClN3O2 — CID 35573533

IUPACN-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1
InChIInChI=1S/C23H30ClN3O2/c1-3-15-29-21-6-4-5-19(16-21)23(28)25-17-22(18-7-9-20(24)10-8-18)27-13-11-26(2)12-14-27/h4-10,16,22H,3,11-15,17H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyPJBYHSNEMNHXND-JOCHJYFZSA-N
MW415.97 g/mol
LogP3.85
Rot. Bonds8

About N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide

N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide (PubChem CID 35573533) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
PubChem CID35573533
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1
InChIInChI=1S/C23H30ClN3O2/c1-3-15-29-21-6-4-5-19(16-21)23(28)25-17-22(18-7-9-20(24)10-8-18)27-13-11-26(2)12-14-27/h4-10,16,22H,3,11-15,17H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyPJBYHSNEMNHXND-JOCHJYFZSA-N
XLogP3.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843601
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843608
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
CID 35041715
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35672261
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
3-bromo-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990763
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931447

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide (CID 35573533) is N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide?
The InChIKey is PJBYHSNEMNHXND-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-3-15-29-21-6-4-5-19(16-21)23(28)25-17-22(18-7-9-20(24)10-8-18)27-13-11-26(2)12-14-27/h4-10,16,22H,3,11-15,17H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide?
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide has a molecular weight of 415.97 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide is sourced from PubChem (CID 35573533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).