2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide

C23H22ClN3O2 — CID 70850944

IUPAC2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide
SMILESCC(C)(NC(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H22ClN3O2/c1-23(2,17-10-6-9-16(13-17)15-7-4-3-5-8-15)27-22(29)26-18-11-12-20(24)19(14-18)21(25)28/h3-14H,1-2H3,(H2,25,28)(H2,26,27,29)
InChIKeyBOHKQKAYWFQSFN-UHFFFAOYSA-N
MW407.90 g/mol
LogP5.16
Rot. Bonds5

About 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide

2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide (PubChem CID 70850944) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide
PubChem CID70850944
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide
SMILESCC(C)(NC(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H22ClN3O2/c1-23(2,17-10-6-9-16(13-17)15-7-4-3-5-8-15)27-22(29)26-18-11-12-20(24)19(14-18)21(25)28/h3-14H,1-2H3,(H2,25,28)(H2,26,27,29)
InChIKeyBOHKQKAYWFQSFN-UHFFFAOYSA-N
XLogP5.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.16
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-phenylphenyl)propan-2-ylcarbamoylamino]benzamide?
The IUPAC name of 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide (CID 70850944) is 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide?
The canonical SMILES for 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide is CC(C)(NC(=O)Nc1ccc(Cl)c(C(N)=O)c1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide?
The InChIKey is BOHKQKAYWFQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-23(2,17-10-6-9-16(13-17)15-7-4-3-5-8-15)27-22(29)26-18-11-12-20(24)19(14-18)21(25)28/h3-14H,1-2H3,(H2,25,28)(H2,26,27,29).
What are the key properties of 2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide?
2-chloro-5-[2-(3-phenylphenyl)propan-2-ylcarbamoylamino]benzamide has a molecular weight of 407.90 g/mol, XLogP of 5.16, 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-phenylphenyl)propan-2-ylcarbamoylamino]benzamide is sourced from PubChem (CID 70850944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).