5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

C23H23Cl2N3O — CID 4653783

IUPAC5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Cl)cccc23)CC1
InChIInChI=1S/C23H23Cl2N3O/c1-2-27-12-14-28(15-13-27)22-20(25)10-5-11-21(22)26-23(29)18-8-3-7-17-16(18)6-4-9-19(17)24/h3-11H,2,12-15H2,1H3,(H,26,29)
InChIKeyNMPGDUKTMYURLS-UHFFFAOYSA-N
MW428.36 g/mol
LogP5.54
Rot. Bonds4

About 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide

5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 4653783) has the molecular formula C23H23Cl2N3O and a molecular weight of 428.36 g/mol. Its IUPAC name is 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
PubChem CID4653783
Molecular FormulaC23H23Cl2N3O
Molecular Weight428.36 g/mol
Exact Mass427.12
IUPAC Name5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Cl)cccc23)CC1
InChIInChI=1S/C23H23Cl2N3O/c1-2-27-12-14-28(15-13-27)22-20(25)10-5-11-21(22)26-23(29)18-8-3-7-17-16(18)6-4-9-19(17)24/h3-11H,2,12-15H2,1H3,(H,26,29)
InChIKeyNMPGDUKTMYURLS-UHFFFAOYSA-N
XLogP5.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 17129047
5-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 2949855
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromonaphthalene-1-carboxamide
CID 17177061
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-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2963756
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482
4-bromo-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4566183
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 3989552
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4254373

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide (CID 4653783) is 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Cl)cccc23)CC1.
What is the InChIKey of 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is NMPGDUKTMYURLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O/c1-2-27-12-14-28(15-13-27)22-20(25)10-5-11-21(22)26-23(29)18-8-3-7-17-16(18)6-4-9-19(17)24/h3-11H,2,12-15H2,1H3,(H,26,29).
What are the key properties of 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide?
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 428.36 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 4653783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).