4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide

C16H16BrN3O2 — CID 55362429

IUPAC4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cc(NC(=O)CNc2ccc(C(N)=O)cc2)ccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-10-8-13(6-7-14(10)17)20-15(21)9-19-12-4-2-11(3-5-12)16(18)22/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyINXXAOJNNYRSDF-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.91
Rot. Bonds5

About 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide

4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 55362429) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID55362429
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cc(NC(=O)CNc2ccc(C(N)=O)cc2)ccc1Br
InChIInChI=1S/C16H16BrN3O2/c1-10-8-13(6-7-14(10)17)20-15(21)9-19-12-4-2-11(3-5-12)16(18)22/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyINXXAOJNNYRSDF-UHFFFAOYSA-N
XLogP2.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
CID 46537886
4-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 37474850
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 4234915
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide (CID 55362429) is 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide is Cc1cc(NC(=O)CNc2ccc(C(N)=O)cc2)ccc1Br.
What is the InChIKey of 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is INXXAOJNNYRSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-10-8-13(6-7-14(10)17)20-15(21)9-19-12-4-2-11(3-5-12)16(18)22/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide?
4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 362.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 55362429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).