2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide

C24H22Cl2N2O3 — CID 2263896

IUPAC2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-15(2)14-31-20-10-3-16(4-11-20)23(29)27-18-6-8-19(9-7-18)28-24(30)21-12-5-17(25)13-22(21)26/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOHZAQSFKCXKUQE-UHFFFAOYSA-N
MW457.36 g/mol
LogP6.53
Rot. Bonds7

About 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide

2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide (PubChem CID 2263896) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
PubChem CID2263896
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC Name2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-15(2)14-31-20-10-3-16(4-11-20)23(29)27-18-6-8-19(9-7-18)28-24(30)21-12-5-17(25)13-22(21)26/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOHZAQSFKCXKUQE-UHFFFAOYSA-N
XLogP6.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 774907
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079524
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
CID 17160527
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
3,4-dichloro-N-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19645200
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide (CID 2263896) is 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide is CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide?
The InChIKey is OHZAQSFKCXKUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-15(2)14-31-20-10-3-16(4-11-20)23(29)27-18-6-8-19(9-7-18)28-24(30)21-12-5-17(25)13-22(21)26/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide?
2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide has a molecular weight of 457.36 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 2263896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).