2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide

C14H21BrN2O — CID 79721645

IUPAC2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H21BrN2O/c1-4-9(2)7-10(3)17-14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyCEXKCSHOPHEKGC-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.59
Rot. Bonds5

About 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide

2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide (PubChem CID 79721645) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
PubChem CID79721645
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
SMILESCCC(C)CC(C)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H21BrN2O/c1-4-9(2)7-10(3)17-14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18)
InChIKeyCEXKCSHOPHEKGC-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
1-(2-amino-4-bromophenyl)-3-methylpentan-1-one
CID 116591735
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
N-(4-methylhexan-2-yl)-2-sulfanylbenzamide
CID 107031346
2-amino-4-bromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 79723305
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
4-bromo-N-(4-hydroxypentan-2-yl)-2-methylbenzamide
CID 113376588
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide (CID 79721645) is 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide is CCC(C)CC(C)NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide?
The InChIKey is CEXKCSHOPHEKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-9(2)7-10(3)17-14(18)12-6-5-11(15)8-13(12)16/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide?
2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide has a molecular weight of 313.24 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide is sourced from PubChem (CID 79721645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).