2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide

C24H22Cl2N2O3 — CID 42706752

IUPAC2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
SMILESCOc1ccc(C(=O)N(CCCNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-31-20-11-8-17(9-12-20)24(30)28(19-6-3-2-4-7-19)15-5-14-27-23(29)21-13-10-18(25)16-22(21)26/h2-4,6-13,16H,5,14-15H2,1H3,(H,27,29)
InChIKeyDPFOBHPMEQAZCT-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.47
Rot. Bonds8

About 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide

2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide (PubChem CID 42706752) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
PubChem CID42706752
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC Name2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
SMILESCOc1ccc(C(=O)N(CCCNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-31-20-11-8-17(9-12-20)24(30)28(19-6-3-2-4-7-19)15-5-14-27-23(29)21-13-10-18(25)16-22(21)26/h2-4,6-13,16H,5,14-15H2,1H3,(H,27,29)
InChIKeyDPFOBHPMEQAZCT-UHFFFAOYSA-N
XLogP5.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2,4-dichloro-N-[3-(cyclobutanecarbonylamino)propyl]-N-phenylbenzamide
CID 42706776
2,4-dichloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726419
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
4-chloro-N-[3-[(2-fluorophenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705306

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide (CID 42706752) is 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide is COc1ccc(C(=O)N(CCCNC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide?
The InChIKey is DPFOBHPMEQAZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-31-20-11-8-17(9-12-20)24(30)28(19-6-3-2-4-7-19)15-5-14-27-23(29)21-13-10-18(25)16-22(21)26/h2-4,6-13,16H,5,14-15H2,1H3,(H,27,29).
What are the key properties of 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide?
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide has a molecular weight of 457.36 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide is sourced from PubChem (CID 42706752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).