3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide

C20H19Cl2N5O2 — CID 75443270

IUPAC3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H19Cl2N5O2/c1-11-9-24-27(10-11)18-6-3-13(19(23)28)7-17(18)26-20(29)25-12(2)15-5-4-14(21)8-16(15)22/h3-10,12H,1-2H3,(H2,23,28)(H2,25,26,29)
InChIKeyGOBUKZCYFCBTNE-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.47
Rot. Bonds5

About 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide

3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 75443270) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID75443270
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC Name3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H19Cl2N5O2/c1-11-9-24-27(10-11)18-6-3-13(19(23)28)7-17(18)26-20(29)25-12(2)15-5-4-14(21)8-16(15)22/h3-10,12H,1-2H3,(H2,23,28)(H2,25,26,29)
InChIKeyGOBUKZCYFCBTNE-UHFFFAOYSA-N
XLogP4.47
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide (CID 75443270) is 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NC(C)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is GOBUKZCYFCBTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c1-11-9-24-27(10-11)18-6-3-13(19(23)28)7-17(18)26-20(29)25-12(2)15-5-4-14(21)8-16(15)22/h3-10,12H,1-2H3,(H2,23,28)(H2,25,26,29).
What are the key properties of 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide?
3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 432.31 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 75443270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).