2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide

C14H18Br2N2O2 — CID 103882644

IUPAC2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18Br2N2O2/c1-8(12(19)18-14(2,3)4)17-13(20)10-6-5-9(15)7-11(10)16/h5-8H,1-4H3,(H,17,20)(H,18,19)
InChIKeyMXKOJYATTQAPAE-UHFFFAOYSA-N
MW406.12 g/mol
LogP3.24
Rot. Bonds3

About 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide

2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 103882644) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
PubChem CID103882644
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1Br)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18Br2N2O2/c1-8(12(19)18-14(2,3)4)17-13(20)10-6-5-9(15)7-11(10)16/h5-8H,1-4H3,(H,17,20)(H,18,19)
InChIKeyMXKOJYATTQAPAE-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775
2,4-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 107951625
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
2,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 114372008
2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 113407755
2,4-dibromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 107939092
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide (CID 103882644) is 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccc(Br)cc1Br)C(=O)NC(C)(C)C.
What is the InChIKey of 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is MXKOJYATTQAPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-8(12(19)18-14(2,3)4)17-13(20)10-6-5-9(15)7-11(10)16/h5-8H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide?
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 406.12 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 103882644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).