3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide

C21H16Cl2N2O3 — CID 1221731

IUPAC3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N2O3/c22-15-5-3-4-14(12-15)21(27)25-17-10-8-16(9-11-17)24-20(26)13-28-19-7-2-1-6-18(19)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPRFVFNVHVYUNGY-UHFFFAOYSA-N
MW415.28 g/mol
LogP5.26
Rot. Bonds6

About 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide

3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1221731) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1221731
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16Cl2N2O3/c22-15-5-3-4-14(12-15)21(27)25-17-10-8-16(9-11-17)24-20(26)13-28-19-7-2-1-6-18(19)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPRFVFNVHVYUNGY-UHFFFAOYSA-N
XLogP5.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]phenyl]benzamide
CID 5153630
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
3-chloro-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4674584
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187776
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
CID 2193068
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
CID 2972854
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 2994859

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide (CID 1221731) is 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide is O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is PRFVFNVHVYUNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c22-15-5-3-4-14(12-15)21(27)25-17-10-8-16(9-11-17)24-20(26)13-28-19-7-2-1-6-18(19)23/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide?
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1221731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).