N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide

C22H21N3O3 — CID 112988363

IUPACN-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)23-17-5-7-18(8-6-17)24-19-9-11-20(12-10-19)25-22(27)16-3-13-21(28-2)14-4-16/h3-14,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyLPCNKPZYKLXCRV-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.65
Rot. Bonds6

About N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide

N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide (PubChem CID 112988363) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
PubChem CID112988363
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(C)=O)cc3)cc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)23-17-5-7-18(8-6-17)24-19-9-11-20(12-10-19)25-22(27)16-3-13-21(28-2)14-4-16/h3-14,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyLPCNKPZYKLXCRV-UHFFFAOYSA-N
XLogP4.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide (CID 112988363) is N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(NC(C)=O)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide?
The InChIKey is LPCNKPZYKLXCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(26)23-17-5-7-18(8-6-17)24-19-9-11-20(12-10-19)25-22(27)16-3-13-21(28-2)14-4-16/h3-14,24H,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide?
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide has a molecular weight of 375.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 112988363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).