N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide

C20H22Cl2N2O2 — CID 38950553

IUPACN-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)24-19(26)14-7-10-15(11-8-14)23-17(25)12-9-13-5-4-6-16(21)18(13)22/h4-8,10-11H,9,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGTAPSEWOLPSXPC-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.09
Rot. Bonds5

About N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide

N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide (PubChem CID 38950553) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide
PubChem CID38950553
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)24-19(26)14-7-10-15(11-8-14)23-17(25)12-9-13-5-4-6-16(21)18(13)22/h4-8,10-11H,9,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGTAPSEWOLPSXPC-UHFFFAOYSA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 43887660
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
CID 17179121
3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930688
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butylbenzamide
CID 38255263
N-[4-[3-(2,3-dichlorophenyl)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 38911210
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide (CID 38950553) is N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide?
The InChIKey is GTAPSEWOLPSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-20(2,3)24-19(26)14-7-10-15(11-8-14)23-17(25)12-9-13-5-4-6-16(21)18(13)22/h4-8,10-11H,9,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide?
N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide has a molecular weight of 393.31 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide is sourced from PubChem (CID 38950553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).