3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide

C16H17N3O2 — CID 60537419

IUPAC3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
SMILESCc1c(NCC(=O)Nc2ccccc2)cccc1C(N)=O
InChIInChI=1S/C16H17N3O2/c1-11-13(16(17)21)8-5-9-14(11)18-10-15(20)19-12-6-3-2-4-7-12/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyBKXIGEJBKVNPHJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.14
Rot. Bonds5

About 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide

3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide (PubChem CID 60537419) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
PubChem CID60537419
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
SMILESCc1c(NCC(=O)Nc2ccccc2)cccc1C(N)=O
InChIInChI=1S/C16H17N3O2/c1-11-13(16(17)21)8-5-9-14(11)18-10-15(20)19-12-6-3-2-4-7-12/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyBKXIGEJBKVNPHJ-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 78866555
3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 87028988
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
CID 30637236
3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
CID 78987092
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 46633439
4-[[2-(2-methyl-3-nitroanilino)acetyl]amino]benzamide
CID 37479645
2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
CID 54811984
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide (CID 60537419) is 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide is Cc1c(NCC(=O)Nc2ccccc2)cccc1C(N)=O.
What is the InChIKey of 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide?
The InChIKey is BKXIGEJBKVNPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-13(16(17)21)8-5-9-14(11)18-10-15(20)19-12-6-3-2-4-7-12/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide?
3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide is sourced from PubChem (CID 60537419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).