3-[[2-(3-methoxyanilino)acetyl]amino]benzamide

C16H17N3O3 — CID 54814576

IUPAC3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
SMILESCOc1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H17N3O3/c1-22-14-7-3-5-12(9-14)18-10-15(20)19-13-6-2-4-11(8-13)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyKRJJWIBEJWIQFX-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.84
Rot. Bonds6

About 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide

3-[[2-(3-methoxyanilino)acetyl]amino]benzamide (PubChem CID 54814576) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
PubChem CID54814576
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
SMILESCOc1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C16H17N3O3/c1-22-14-7-3-5-12(9-14)18-10-15(20)19-13-6-2-4-11(8-13)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyKRJJWIBEJWIQFX-UHFFFAOYSA-N
XLogP1.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide (CID 54814576) is 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide is COc1cccc(NCC(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide?
The InChIKey is KRJJWIBEJWIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-7-3-5-12(9-14)18-10-15(20)19-13-6-2-4-11(8-13)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide?
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54814576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).