2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide

C14H19BrN2O2 — CID 113407755

IUPAC2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C)C(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-8(2)16-13(18)10(4)17-14(19)11-6-5-9(3)7-12(11)15/h5-8,10H,1-4H3,(H,16,18)(H,17,19)
InChIKeyYMZAMKYLBLCCTN-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.40
Rot. Bonds4

About 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide

2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide (PubChem CID 113407755) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
PubChem CID113407755
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C)C(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-8(2)16-13(18)10(4)17-14(19)11-6-5-9(3)7-12(11)15/h5-8,10H,1-4H3,(H,16,18)(H,17,19)
InChIKeyYMZAMKYLBLCCTN-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The IUPAC name of 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide (CID 113407755) is 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide is Cc1ccc(C(=O)NC(C)C(=O)NC(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The InChIKey is YMZAMKYLBLCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-8(2)16-13(18)10(4)17-14(19)11-6-5-9(3)7-12(11)15/h5-8,10H,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide is sourced from PubChem (CID 113407755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).