4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide

C25H25ClN2O3 — CID 1221634

IUPAC4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-25(2,3)18-10-8-17(9-11-18)24(30)28-20-14-12-19(13-15-20)27-23(29)16-31-22-7-5-4-6-21(22)26/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBZZLLRMIGJVOMY-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.91
Rot. Bonds6

About 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide

4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1221634) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1221634
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-25(2,3)18-10-8-17(9-11-18)24(30)28-20-14-12-19(13-15-20)27-23(29)16-31-22-7-5-4-6-21(22)26/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBZZLLRMIGJVOMY-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

4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731
2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434890
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187776
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
4-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9286555
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 2994859

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide (CID 1221634) is 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is BZZLLRMIGJVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-25(2,3)18-10-8-17(9-11-18)24(30)28-20-14-12-19(13-15-20)27-23(29)16-31-22-7-5-4-6-21(22)26/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide 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 4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1221634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).