4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide

C20H24BrN3O2 — CID 55988825

IUPAC4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C20H24BrN3O2/c1-12(2)23-20(26)15-5-7-17(13(3)9-15)22-11-19(25)24-18-8-6-16(21)10-14(18)4/h5-10,12,22H,11H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyBZWNYBWRPOTJOJ-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.25
Rot. Bonds6

About 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide

4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide (PubChem CID 55988825) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
PubChem CID55988825
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C20H24BrN3O2/c1-12(2)23-20(26)15-5-7-17(13(3)9-15)22-11-19(25)24-18-8-6-16(21)10-14(18)4/h5-10,12,22H,11H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyBZWNYBWRPOTJOJ-UHFFFAOYSA-N
XLogP4.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 60561506
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 86821541
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide (CID 55988825) is 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide is Cc1cc(C(=O)NC(C)C)ccc1NCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is BZWNYBWRPOTJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-12(2)23-20(26)15-5-7-17(13(3)9-15)22-11-19(25)24-18-8-6-16(21)10-14(18)4/h5-10,12,22H,11H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 418.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55988825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).