N-(1-bromopropan-2-yl)-4-chlorobenzamide

C10H11BrClNO — CID 114310647

IUPACN-(1-bromopropan-2-yl)-4-chlorobenzamide
SMILESCC(CBr)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11BrClNO/c1-7(6-11)13-10(14)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNIYDKQLYPAHQMO-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.85
Rot. Bonds3

About N-(1-bromopropan-2-yl)-4-chlorobenzamide

N-(1-bromopropan-2-yl)-4-chlorobenzamide (PubChem CID 114310647) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-4-chlorobenzamide
PubChem CID114310647
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-(1-bromopropan-2-yl)-4-chlorobenzamide
SMILESCC(CBr)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11BrClNO/c1-7(6-11)13-10(14)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyNIYDKQLYPAHQMO-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.85
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-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106503155
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-(1-bromopropan-2-yl)-3,5-dimethylbenzamide
CID 114310754
4-chloro-N-(1-oxopropan-2-yl)benzamide
CID 54017206
3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
CID 82879716

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-4-chlorobenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-4-chlorobenzamide (CID 114310647) is N-(1-bromopropan-2-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-4-chlorobenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-4-chlorobenzamide is CC(CBr)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-bromopropan-2-yl)-4-chlorobenzamide?
The InChIKey is NIYDKQLYPAHQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-7(6-11)13-10(14)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of N-(1-bromopropan-2-yl)-4-chlorobenzamide?
N-(1-bromopropan-2-yl)-4-chlorobenzamide has a molecular weight of 276.56 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-4-chlorobenzamide is sourced from PubChem (CID 114310647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).