N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide

C22H21N3O3 — CID 112988294

IUPACN-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)23-18-6-5-7-19(14-18)24-16-10-12-17(13-11-16)25-22(27)20-8-3-4-9-21(20)28-2/h3-14,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyKFDIEOACXQULGP-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.65
Rot. Bonds6

About N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide

N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide (PubChem CID 112988294) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide
PubChem CID112988294
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(26)23-18-6-5-7-19(14-18)24-16-10-12-17(13-11-16)25-22(27)20-8-3-4-9-21(20)28-2/h3-14,24H,1-2H3,(H,23,26)(H,25,27)
InChIKeyKFDIEOACXQULGP-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

2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
N-(3-acetamidophenyl)-2-phenoxybenzamide
CID 3402859
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide (CID 112988294) is N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(Nc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide?
The InChIKey is KFDIEOACXQULGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(26)23-18-6-5-7-19(14-18)24-16-10-12-17(13-11-16)25-22(27)20-8-3-4-9-21(20)28-2/h3-14,24H,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide?
N-[4-(3-acetamidoanilino)phenyl]-2-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-(3-acetamidoanilino)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 112988294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).