N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide

C22H17N3O3 — CID 46879969

IUPACN-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C22H17N3O3/c1-28-20-11-3-2-10-19(20)22(27)25-18-9-5-8-17(13-18)24-21(26)16-7-4-6-15(12-16)14-23/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyYTAQUZZUBZVOFI-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.07
Rot. Bonds5

About N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide

N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide (PubChem CID 46879969) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide
PubChem CID46879969
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C#N)c2)c1
InChIInChI=1S/C22H17N3O3/c1-28-20-11-3-2-10-19(20)22(27)25-18-9-5-8-17(13-18)24-21(26)16-7-4-6-15(12-16)14-23/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyYTAQUZZUBZVOFI-UHFFFAOYSA-N
XLogP4.07
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 46785920
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793
1-N,3-N-bis(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 138884
2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
CID 53301913
(4bS,8aR)-N-(4-aminophenyl)-6-cyano-3-methoxy-4b,8,8-trimethyl-7-oxo-9,10-dihydro-8aH-phenanthrene-2-carboxamide
CID 145979129
(4bS,8aR)-6-cyano-3-methoxy-4b,8,8-trimethyl-7-oxo-N-phenyl-9,10-dihydro-8aH-phenanthrene-2-carboxamide
CID 145992208
(4bS,8aR)-6-cyano-N-(4-cyanophenyl)-3-methoxy-4b,8,8-trimethyl-7-oxo-9,10-dihydro-8aH-phenanthrene-2-carboxamide
CID 145992412
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 795568
N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
CID 965190
2-[(4-fluorobenzyl)oxy]-N-phenylbenzamide
CID 977943

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide (CID 46879969) is N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C#N)c2)c1.
What is the InChIKey of N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide?
The InChIKey is YTAQUZZUBZVOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-20-11-3-2-10-19(20)22(27)25-18-9-5-8-17(13-18)24-21(26)16-7-4-6-15(12-16)14-23/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide?
N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide has a molecular weight of 371.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanobenzoyl)amino]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 46879969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).