2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide

C20H22ClN3O2 — CID 71455425

IUPAC2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1
InChIInChI=1S/C20H22ClN3O2/c1-12(2)13-6-5-7-14(10-13)20(3,4)24-19(26)23-15-8-9-17(21)16(11-15)18(22)25/h5-11H,1H2,2-4H3,(H2,22,25)(H2,23,24,26)
InChIKeyOWICRHOFTKSGBT-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.53
Rot. Bonds5

About 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide

2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide (PubChem CID 71455425) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
PubChem CID71455425
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1
InChIInChI=1S/C20H22ClN3O2/c1-12(2)13-6-5-7-14(10-13)20(3,4)24-19(26)23-15-8-9-17(21)16(11-15)18(22)25/h5-11H,1H2,2-4H3,(H2,22,25)(H2,23,24,26)
InChIKeyOWICRHOFTKSGBT-UHFFFAOYSA-N
XLogP4.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
The IUPAC name of 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide (CID 71455425) is 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
The canonical SMILES for 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1.
What is the InChIKey of 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
The InChIKey is OWICRHOFTKSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-12(2)13-6-5-7-14(10-13)20(3,4)24-19(26)23-15-8-9-17(21)16(11-15)18(22)25/h5-11H,1H2,2-4H3,(H2,22,25)(H2,23,24,26).
What are the key properties of 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide?
2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide has a molecular weight of 371.87 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide is sourced from PubChem (CID 71455425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).