2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide

C22H18Cl2N2O2 — CID 2206480

IUPAC2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-13-9-14(2)11-15(10-13)21(27)25-17-4-6-18(7-5-17)26-22(28)19-8-3-16(23)12-20(19)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyIDSZHCMHCMCEDM-UHFFFAOYSA-N
MW413.30 g/mol
LogP6.11
Rot. Bonds4

About 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide

2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide (PubChem CID 2206480) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
PubChem CID2206480
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-13-9-14(2)11-15(10-13)21(27)25-17-4-6-18(7-5-17)26-22(28)19-8-3-16(23)12-20(19)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyIDSZHCMHCMCEDM-UHFFFAOYSA-N
XLogP6.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
2,4-dichloro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 9203694
[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2,4-dichlorobenzoyl)amino]benzoate
CID 2901178
2,4-dichloro-N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]benzamide
CID 1348326
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide (CID 2206480) is 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide?
The InChIKey is IDSZHCMHCMCEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-13-9-14(2)11-15(10-13)21(27)25-17-4-6-18(7-5-17)26-22(28)19-8-3-16(23)12-20(19)24/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide?
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide has a molecular weight of 413.30 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 2206480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).