N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide

C24H26ClN3O2 — CID 2963756

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26ClN3O2/c1-2-27-13-15-28(16-14-27)24-20(25)10-6-11-21(24)26-23(29)17-30-22-12-5-8-18-7-3-4-9-19(18)22/h3-12H,2,13-17H2,1H3,(H,26,29)
InChIKeyQHHWDVQRHVYEBC-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.65
Rot. Bonds6

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 2963756) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
PubChem CID2963756
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C24H26ClN3O2/c1-2-27-13-15-28(16-14-27)24-20(25)10-6-11-21(24)26-23(29)17-30-22-12-5-8-18-7-3-4-9-19(18)22/h3-12H,2,13-17H2,1H3,(H,26,29)
InChIKeyQHHWDVQRHVYEBC-UHFFFAOYSA-N
XLogP4.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17177108
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1266149
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 3483865
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 5021302
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17177111
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 50954788
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3906746
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide (CID 2963756) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide is CCN1CCN(c2c(Cl)cccc2NC(=O)COc2cccc3ccccc23)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is QHHWDVQRHVYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-2-27-13-15-28(16-14-27)24-20(25)10-6-11-21(24)26-23(29)17-30-22-12-5-8-18-7-3-4-9-19(18)22/h3-12H,2,13-17H2,1H3,(H,26,29).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 423.94 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 2963756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).