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

C25H25Cl2N3O2 — CID 17129047

IUPAC5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
SMILESCC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Cl)cccc23)CC1
InChIInChI=1S/C25H25Cl2N3O2/c1-16(2)25(32)30-14-12-29(13-15-30)23-21(27)10-5-11-22(23)28-24(31)19-8-3-7-18-17(19)6-4-9-20(18)26/h3-11,16H,12-15H2,1-2H3,(H,28,31)
InChIKeyCLPRMECEMYKYLQ-UHFFFAOYSA-N
MW470.40 g/mol
LogP5.70
Rot. Bonds4

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

5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 17129047) has the molecular formula C25H25Cl2N3O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
PubChem CID17129047
Molecular FormulaC25H25Cl2N3O2
Molecular Weight470.40 g/mol
Exact Mass469.13
IUPAC Name5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
SMILESCC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Cl)cccc23)CC1
InChIInChI=1S/C25H25Cl2N3O2/c1-16(2)25(32)30-14-12-29(13-15-30)23-21(27)10-5-11-22(23)28-24(31)19-8-3-7-18-17(19)6-4-9-20(18)26/h3-11,16H,12-15H2,1-2H3,(H,28,31)
InChIKeyCLPRMECEMYKYLQ-UHFFFAOYSA-N
XLogP5.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide (CID 17129047) is 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide is CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Cl)cccc23)CC1.
What is the InChIKey of 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is CLPRMECEMYKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O2/c1-16(2)25(32)30-14-12-29(13-15-30)23-21(27)10-5-11-22(23)28-24(31)19-8-3-7-18-17(19)6-4-9-20(18)26/h3-11,16H,12-15H2,1-2H3,(H,28,31).
What are the key properties of 5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?
5-chloro-N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 5.70, 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-(2-methylpropanoyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 17129047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).