N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide

C11H12BrCl2NO — CID 114307803

IUPACN-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
SMILESCCC(CBr)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-2-10(6-12)15-11(16)7-3-8(13)5-9(14)4-7/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyPKTAZKWOJJTNIU-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.90
Rot. Bonds4

About N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide

N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide (PubChem CID 114307803) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
PubChem CID114307803
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC NameN-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
SMILESCCC(CBr)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12BrCl2NO/c1-2-10(6-12)15-11(16)7-3-8(13)5-9(14)4-7/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyPKTAZKWOJJTNIU-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-(1-bromobutan-2-yl)-3,4,5-trifluorobenzamide
CID 114307677
3-[(3-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 107938291
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
3-chloro-N-(1-chlorobutan-2-yl)-5-methylbenzamide
CID 114294418
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
3-bromo-5-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 104694810
N-(1-bromobutan-2-yl)-4-hydroxybenzamide
CID 114307598
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
N-(1-bromobutan-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107966093
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide
CID 107940559
3-bromo-N-(1-bromobutan-2-yl)-5-nitrobenzamide
CID 114307736
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide?
The IUPAC name of N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide (CID 114307803) is N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide is CCC(CBr)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide?
The InChIKey is PKTAZKWOJJTNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c1-2-10(6-12)15-11(16)7-3-8(13)5-9(14)4-7/h3-5,10H,2,6H2,1H3,(H,15,16).
What are the key properties of N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide?
N-(1-bromobutan-2-yl)-3,5-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-(1-bromobutan-2-yl)-3,5-dichlorobenzamide is sourced from PubChem (CID 114307803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).