2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide

C13H17BrClNO — CID 103764241

IUPAC2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-4-8(2)9(3)16-13(17)11-6-5-10(15)7-12(11)14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyNNNVTGQYIMDUOW-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.27
Rot. Bonds4

About 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide

2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide (PubChem CID 103764241) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
PubChem CID103764241
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-4-8(2)9(3)16-13(17)11-6-5-10(15)7-12(11)14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyNNNVTGQYIMDUOW-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
2-bromo-4-chloro-N-pent-1-yn-3-ylbenzamide
CID 103578921
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
CID 107992470
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 103763940
(2S)-2-[(2-bromo-4-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 81280954

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide (CID 103764241) is 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is NNNVTGQYIMDUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-4-8(2)9(3)16-13(17)11-6-5-10(15)7-12(11)14/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide?
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 318.64 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 103764241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).