N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide

C24H21N3O3 — CID 52703472

IUPACN-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C24H21N3O3/c1-17(28)20-7-3-9-22(12-20)27-24(29)15-26-21-8-4-10-23(13-21)30-16-19-6-2-5-18(11-19)14-25/h2-13,26H,15-16H2,1H3,(H,27,29)
InChIKeyQNLDABRVJQFNIM-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.39
Rot. Bonds8

About N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide

N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide (PubChem CID 52703472) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
PubChem CID52703472
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C24H21N3O3/c1-17(28)20-7-3-9-22(12-20)27-24(29)15-26-21-8-4-10-23(13-21)30-16-19-6-2-5-18(11-19)14-25/h2-13,26H,15-16H2,1H3,(H,27,29)
InChIKeyQNLDABRVJQFNIM-UHFFFAOYSA-N
XLogP4.39
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55689090
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
5-bromo-N-[2-[3-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55837910
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-cyanoanilino)acetamide
CID 109011133
3-[[2-(3-phenylmethoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54826503
4-[[2-[3-chloro-4-[(3-cyanophenyl)methoxy]anilino]-2-oxoethyl]amino]benzamide
CID 154832712
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55689140
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide (CID 52703472) is N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide is CC(=O)c1cccc(NC(=O)CNc2cccc(OCc3cccc(C#N)c3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide?
The InChIKey is QNLDABRVJQFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17(28)20-7-3-9-22(12-20)27-24(29)15-26-21-8-4-10-23(13-21)30-16-19-6-2-5-18(11-19)14-25/h2-13,26H,15-16H2,1H3,(H,27,29).
What are the key properties of N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide?
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide is sourced from PubChem (CID 52703472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).