4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

C22H18Cl2N2O3 — CID 171463810

IUPAC4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Cl)c(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-29-19-10-6-5-7-14(19)13-25-21(27)15-11-17(20(24)18(23)12-15)22(28)26-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyFYZJUGWKJFLVCS-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.18
Rot. Bonds6

About 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 171463810) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID171463810
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC Name4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Cl)c(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-29-19-10-6-5-7-14(19)13-25-21(27)15-11-17(20(24)18(23)12-15)22(28)26-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyFYZJUGWKJFLVCS-UHFFFAOYSA-N
XLogP5.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 171463848
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-(5-morpholin-4-yl-2-pyridinyl)benzene-1,3-dicarboxamide
CID 171463805
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
4-N-(2-chlorophenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 109047395
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
3-N-(3,4-dimethylphenyl)-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054817
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (CID 171463810) is 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is COc1ccccc1CNC(=O)c1cc(Cl)c(Cl)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is FYZJUGWKJFLVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-29-19-10-6-5-7-14(19)13-25-21(27)15-11-17(20(24)18(23)12-15)22(28)26-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 429.30 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-N-[(2-methoxyphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 171463810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).