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

C19H21BrN4O3 — CID 31378107

IUPAC4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H21BrN4O3/c1-12-9-14(20)5-8-16(12)23-18(26)11-24(2)10-17(25)22-15-6-3-13(4-7-15)19(21)27/h3-9H,10-11H2,1-2H3,(H2,21,27)(H,22,25)(H,23,26)
InChIKeyRUXWOUKEVLTFPX-UHFFFAOYSA-N
MW433.31 g/mol
LogP2.37
Rot. Bonds7

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

4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (PubChem CID 31378107) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
PubChem CID31378107
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC Name4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H21BrN4O3/c1-12-9-14(20)5-8-16(12)23-18(26)11-24(2)10-17(25)22-15-6-3-13(4-7-15)19(21)27/h3-9H,10-11H2,1-2H3,(H2,21,27)(H,22,25)(H,23,26)
InChIKeyRUXWOUKEVLTFPX-UHFFFAOYSA-N
XLogP2.37
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide with MolForge

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Related Compounds

4-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36639429
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate
CID 32701380
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654281
N-(4-bromo-2-methylphenyl)-2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 8790419
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (CID 31378107) is 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The InChIKey is RUXWOUKEVLTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c1-12-9-14(20)5-8-16(12)23-18(26)11-24(2)10-17(25)22-15-6-3-13(4-7-15)19(21)27/h3-9H,10-11H2,1-2H3,(H2,21,27)(H,22,25)(H,23,26).
What are the key properties of 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide has a molecular weight of 433.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 31378107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).