2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide

C21H16Cl2N2O3 — CID 1365243

IUPAC2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C21H16Cl2N2O3/c1-28-17-7-2-4-13(10-17)20(26)24-15-5-3-6-16(12-15)25-21(27)18-9-8-14(22)11-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyNCYUHHZVCWIRLQ-UHFFFAOYSA-N
MW415.28 g/mol
LogP5.51
Rot. Bonds5

About 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide

2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide (PubChem CID 1365243) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide
PubChem CID1365243
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C21H16Cl2N2O3/c1-28-17-7-2-4-13(10-17)20(26)24-15-5-3-6-16(12-15)25-21(27)18-9-8-14(22)11-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyNCYUHHZVCWIRLQ-UHFFFAOYSA-N
XLogP5.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.28
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide (CID 1365243) is 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide?
The InChIKey is NCYUHHZVCWIRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c1-28-17-7-2-4-13(10-17)20(26)24-15-5-3-6-16(12-15)25-21(27)18-9-8-14(22)11-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide?
2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide has a molecular weight of 415.28 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[(3-methoxybenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 1365243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).