N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide

C23H22N2O4 — CID 112988213

IUPACN-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-15(26)16-4-6-18(7-5-16)24-19-8-10-20(11-9-19)25-23(27)17-12-21(28-2)14-22(13-17)29-3/h4-14,24H,1-3H3,(H,25,27)
InChIKeyFERMREQYXCSMGZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.90
Rot. Bonds7

About N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide

N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide (PubChem CID 112988213) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
PubChem CID112988213
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)cc2)c1
InChIInChI=1S/C23H22N2O4/c1-15(26)16-4-6-18(7-5-16)24-19-8-10-20(11-9-19)25-23(27)17-12-21(28-2)14-22(13-17)29-3/h4-14,24H,1-3H3,(H,25,27)
InChIKeyFERMREQYXCSMGZ-UHFFFAOYSA-N
XLogP4.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986757
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide (CID 112988213) is N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is FERMREQYXCSMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(26)16-4-6-18(7-5-16)24-19-8-10-20(11-9-19)25-23(27)17-12-21(28-2)14-22(13-17)29-3/h4-14,24H,1-3H3,(H,25,27).
What are the key properties of N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide?
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112988213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).