2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide

C14H11Cl2N5O2 — CID 108759901

IUPAC2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide
SMILESCn1ncc(C#N)c1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N5O2/c1-21-13(8(5-17)6-19-21)20-12(22)7-18-14(23)10-3-2-9(15)4-11(10)16/h2-4,6H,7H2,1H3,(H,18,23)(H,20,22)
InChIKeySGRIQIHPLJELHJ-UHFFFAOYSA-N
MW352.18 g/mol
LogP1.97
Rot. Bonds4

About 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide (PubChem CID 108759901) has the molecular formula C14H11Cl2N5O2 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide
PubChem CID108759901
Molecular FormulaC14H11Cl2N5O2
Molecular Weight352.18 g/mol
Exact Mass351.03
IUPAC Name2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide
SMILESCn1ncc(C#N)c1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N5O2/c1-21-13(8(5-17)6-19-21)20-12(22)7-18-14(23)10-3-2-9(15)4-11(10)16/h2-4,6H,7H2,1H3,(H,18,23)(H,20,22)
InChIKeySGRIQIHPLJELHJ-UHFFFAOYSA-N
XLogP1.97
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide (CID 108759901) is 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide is Cn1ncc(C#N)c1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is SGRIQIHPLJELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O2/c1-21-13(8(5-17)6-19-21)20-12(22)7-18-14(23)10-3-2-9(15)4-11(10)16/h2-4,6H,7H2,1H3,(H,18,23)(H,20,22).
What are the key properties of 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 352.18 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108759901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).