N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C20H23BrN2O2 — CID 43010152

IUPACN-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O2/c1-13(2)11-18(20(25)22-16-9-6-8-15(21)12-16)23-19(24)17-10-5-4-7-14(17)3/h4-10,12-13,18H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyXLWTYSLQRDSGPD-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.54
Rot. Bonds6

About N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 43010152) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID43010152
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H23BrN2O2/c1-13(2)11-18(20(25)22-16-9-6-8-15(21)12-16)23-19(24)17-10-5-4-7-14(17)3/h4-10,12-13,18H,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyXLWTYSLQRDSGPD-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(hydroxymethyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 112766703
N-[(2S)-1-[3-(dimethylsulfamoyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 41117900
2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429
N-[1-(3-chloro-4-methoxyanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 42990228
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808
N-[(2S)-1-[4-(diethylamino)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 2438696
N-[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 9038644
2-methyl-N-[(2S)-4-methyl-1-(2-methylsulfanylanilino)-1-oxopentan-2-yl]benzamide
CID 41013790
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55618994
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 43010152) is N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is XLWTYSLQRDSGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-13(2)11-18(20(25)22-16-9-6-8-15(21)12-16)23-19(24)17-10-5-4-7-14(17)3/h4-10,12-13,18H,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 403.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromoanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 43010152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).