4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide

C16H17N3O2 — CID 51224881

IUPAC4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCN(C(=O)CNc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-19(14-5-3-2-4-6-14)15(20)11-18-13-9-7-12(8-10-13)16(17)21/h2-10,18H,11H2,1H3,(H2,17,21)
InChIKeyFLJUBRLEIZFYTL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.86
Rot. Bonds5

About 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide

4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 51224881) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID51224881
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCN(C(=O)CNc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-19(14-5-3-2-4-6-14)15(20)11-18-13-9-7-12(8-10-13)16(17)21/h2-10,18H,11H2,1H3,(H2,17,21)
InChIKeyFLJUBRLEIZFYTL-UHFFFAOYSA-N
XLogP1.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
2-(4-acetylanilino)-N-methyl-N-phenylacetamide
CID 42996589
N-methyl-2-(naphthalen-2-ylamino)-N-phenylacetamide
CID 26417147
N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 54835535
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
N-methyl-2-[4-(2-methylprop-2-enoxy)anilino]-N-phenylacetamide
CID 54824242
N-methyl-2-(3-nitroanilino)-N-phenylacetamide
CID 9298118
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
2-(2,6-dichloroanilino)-N-methyl-N-phenylacetamide
CID 109007260
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
N,N-bis(2-amino-2-oxoethyl)-2-anilinoacetamide
CID 55155300

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide (CID 51224881) is 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide is CN(C(=O)CNc1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is FLJUBRLEIZFYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(14-5-3-2-4-6-14)15(20)11-18-13-9-7-12(8-10-13)16(17)21/h2-10,18H,11H2,1H3,(H2,17,21).
What are the key properties of 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide?
4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 51224881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).