N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide

C11H12BrCl2NO — CID 83179376

IUPACN-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
SMILESCC(CCBr)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12BrCl2NO/c1-7(4-5-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyPHDPXIKVEGFTSD-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.90
Rot. Bonds4

About N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide

N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide (PubChem CID 83179376) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
PubChem CID83179376
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC NameN-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
SMILESCC(CCBr)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12BrCl2NO/c1-7(4-5-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyPHDPXIKVEGFTSD-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
N-(4-bromobutan-2-yl)-2,5-difluorobenzamide
CID 83180348
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106503155
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
2-amino-5-chloro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93081140
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
5-chloro-N-(1-hydroxypropan-2-yl)-2-methylbenzamide
CID 115532816
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide?
The IUPAC name of N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide (CID 83179376) is N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide is CC(CCBr)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide?
The InChIKey is PHDPXIKVEGFTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-7(4-5-12)15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide?
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide has a molecular weight of 325.03 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide is sourced from PubChem (CID 83179376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).