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

C22H17Cl2NO4 — CID 2803430

IUPAC3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-28-16-8-10-20(29-2)17(12-16)21(26)13-3-6-15(7-4-13)25-22(27)14-5-9-18(23)19(24)11-14/h3-12H,1-2H3,(H,25,27)
InChIKeyNIRXPHCMVJGUDK-UHFFFAOYSA-N
MW430.29 g/mol
LogP5.49
Rot. Bonds6

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

3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide (PubChem CID 2803430) has the molecular formula C22H17Cl2NO4 and a molecular weight of 430.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
PubChem CID2803430
Molecular FormulaC22H17Cl2NO4
Molecular Weight430.29 g/mol
Exact Mass429.05
IUPAC Name3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C22H17Cl2NO4/c1-28-16-8-10-20(29-2)17(12-16)21(26)13-3-6-15(7-4-13)25-22(27)14-5-9-18(23)19(24)11-14/h3-12H,1-2H3,(H,25,27)
InChIKeyNIRXPHCMVJGUDK-UHFFFAOYSA-N
XLogP5.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178053
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide (CID 2803430) is 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide is COc1ccc(OC)c(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1.
What is the InChIKey of 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide?
The InChIKey is NIRXPHCMVJGUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO4/c1-28-16-8-10-20(29-2)17(12-16)21(26)13-3-6-15(7-4-13)25-22(27)14-5-9-18(23)19(24)11-14/h3-12H,1-2H3,(H,25,27).
What are the key properties of 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide?
3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide has a molecular weight of 430.29 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-(2,5-dimethoxybenzoyl)phenyl]benzamide is sourced from PubChem (CID 2803430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).