N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide

C23H21BrClN3O2 — CID 17177061

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Br)cccc23)CC1
InChIInChI=1S/C23H21BrClN3O2/c1-15(29)27-11-13-28(14-12-27)22-20(25)9-4-10-21(22)26-23(30)18-7-2-6-17-16(18)5-3-8-19(17)24/h2-10H,11-14H2,1H3,(H,26,30)
InChIKeyKCAKENYYQMANJA-UHFFFAOYSA-N
MW486.80 g/mol
LogP5.18
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide (PubChem CID 17177061) has the molecular formula C23H21BrClN3O2 and a molecular weight of 486.80 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide
PubChem CID17177061
Molecular FormulaC23H21BrClN3O2
Molecular Weight486.80 g/mol
Exact Mass485.05
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Br)cccc23)CC1
InChIInChI=1S/C23H21BrClN3O2/c1-15(29)27-11-13-28(14-12-27)22-20(25)9-4-10-21(22)26-23(30)18-7-2-6-17-16(18)5-3-8-19(17)24/h2-10H,11-14H2,1H3,(H,26,30)
InChIKeyKCAKENYYQMANJA-UHFFFAOYSA-N
XLogP5.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide 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

5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482
5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 17129047
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-methoxy-3-methylbenzamide
CID 17177028
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-methoxynaphthalene-2-carboxamide
CID 17177063
5-bromo-N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 17050000
5-bromo-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]naphthalene-1-carboxamide
CID 21168581
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide
CID 17177021
5-bromo-N-[2-(4-methylpiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4006206
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 17177067

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide (CID 17177061) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide is CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Br)cccc23)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide?
The InChIKey is KCAKENYYQMANJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClN3O2/c1-15(29)27-11-13-28(14-12-27)22-20(25)9-4-10-21(22)26-23(30)18-7-2-6-17-16(18)5-3-8-19(17)24/h2-10H,11-14H2,1H3,(H,26,30).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide has a molecular weight of 486.80 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide is sourced from PubChem (CID 17177061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).