3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide

C24H32ClN3O3 — CID 43067046

IUPAC3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C24H32ClN3O3/c1-4-14-31-23-21(25)16-19(17-22(23)30-3)24(29)26-8-9-27-10-12-28(13-11-27)20-7-5-6-18(2)15-20/h5-7,15-17H,4,8-14H2,1-3H3,(H,26,29)
InChIKeyKDBOMEYCALPFMH-UHFFFAOYSA-N
MW445.99 g/mol
LogP4.00
Rot. Bonds9

About 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide (PubChem CID 43067046) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
PubChem CID43067046
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1OC
InChIInChI=1S/C24H32ClN3O3/c1-4-14-31-23-21(25)16-19(17-22(23)30-3)24(29)26-8-9-27-10-12-28(13-11-27)20-7-5-6-18(2)15-20/h5-7,15-17H,4,8-14H2,1-3H3,(H,26,29)
InChIKeyKDBOMEYCALPFMH-UHFFFAOYSA-N
XLogP4.00
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
2,4-dichloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885246
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
CID 39003243
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide (CID 43067046) is 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide?
The InChIKey is KDBOMEYCALPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-4-14-31-23-21(25)16-19(17-22(23)30-3)24(29)26-8-9-27-10-12-28(13-11-27)20-7-5-6-18(2)15-20/h5-7,15-17H,4,8-14H2,1-3H3,(H,26,29).
What are the key properties of 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide has a molecular weight of 445.99 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide is sourced from PubChem (CID 43067046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).