N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide

C24H21Cl2NO3 — CID 19645108

IUPACN-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(OC(CCCl)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21Cl2NO3/c1-16-5-2-3-8-21(16)24(29)27-19-6-4-7-20(15-19)30-22(13-14-25)23(28)17-9-11-18(26)12-10-17/h2-12,15,22H,13-14H2,1H3,(H,27,29)
InChIKeyJARGVGCTCDMEMD-UHFFFAOYSA-N
MW442.34 g/mol
LogP6.16
Rot. Bonds8

About N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide

N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide (PubChem CID 19645108) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide
PubChem CID19645108
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC NameN-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cccc(OC(CCCl)C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21Cl2NO3/c1-16-5-2-3-8-21(16)24(29)27-19-6-4-7-20(15-19)30-22(13-14-25)23(28)17-9-11-18(26)12-10-17/h2-12,15,22H,13-14H2,1H3,(H,27,29)
InChIKeyJARGVGCTCDMEMD-UHFFFAOYSA-N
XLogP6.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-4-methylbenzamide
CID 19645114
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 5065918
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645089
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
ethyl [4-[[3-[(2-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930848
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
CID 55343011

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide (CID 19645108) is N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cccc(OC(CCCl)C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide?
The InChIKey is JARGVGCTCDMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c1-16-5-2-3-8-21(16)24(29)27-19-6-4-7-20(15-19)30-22(13-14-25)23(28)17-9-11-18(26)12-10-17/h2-12,15,22H,13-14H2,1H3,(H,27,29).
What are the key properties of N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide?
N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide has a molecular weight of 442.34 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 19645108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).