N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide

C25H25ClN2O3 — CID 23796445

IUPACN-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-25(2,3)17-11-13-20(14-12-17)31-16-23(29)27-18-7-6-8-19(15-18)28-24(30)21-9-4-5-10-22(21)26/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyANJXHFCNAKYEAZ-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.91
Rot. Bonds6

About N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide

N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide (PubChem CID 23796445) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
PubChem CID23796445
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC NameN-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-25(2,3)17-11-13-20(14-12-17)31-16-23(29)27-18-7-6-8-19(15-18)28-24(30)21-9-4-5-10-22(21)26/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyANJXHFCNAKYEAZ-UHFFFAOYSA-N
XLogP5.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]benzamide
CID 1332229
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1326900
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
4-tert-butyl-N-[3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46772125
2-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]benzamide
CID 39044160
2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 3877756
N-[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 23095230
2-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]acetic acid
CID 119351840
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenyl)-2-oxoethyl]acetamide
CID 11710214
2-(4-tert-butylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43412130
4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
CID 4034041

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide?
The IUPAC name of N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide (CID 23796445) is N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide is CC(C)(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide?
The InChIKey is ANJXHFCNAKYEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-25(2,3)17-11-13-20(14-12-17)31-16-23(29)27-18-7-6-8-19(15-18)28-24(30)21-9-4-5-10-22(21)26/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide?
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide has a molecular weight of 436.94 g/mol, XLogP of 5.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide is sourced from PubChem (CID 23796445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).