1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

C22H19ClN2O3 — CID 109057036

IUPAC1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C22H19ClN2O3/c1-25(18-9-4-3-5-10-18)22(27)16-8-6-7-15(13-16)21(26)24-19-14-17(23)11-12-20(19)28-2/h3-14H,1-2H3,(H,24,26)
InChIKeyJWTJVVPCETVEQB-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.88
Rot. Bonds5

About 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109057036) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109057036
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C22H19ClN2O3/c1-25(18-9-4-3-5-10-18)22(27)16-8-6-7-15(13-16)21(26)24-19-14-17(23)11-12-20(19)28-2/h3-14H,1-2H3,(H,24,26)
InChIKeyJWTJVVPCETVEQB-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176387
1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057070
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091438
3-N-(2-methoxyphenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108084
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
2-N-(2-methoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091430
5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
3-N-(5-chloro-2-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055121

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (CID 109057036) is 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is COc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is JWTJVVPCETVEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-25(18-9-4-3-5-10-18)22(27)16-8-6-7-15(13-16)21(26)24-19-14-17(23)11-12-20(19)28-2/h3-14H,1-2H3,(H,24,26).
What are the key properties of 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109057036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).