3-chloro-N-(5-chloropentan-2-yl)benzamide

C12H15Cl2NO — CID 114305976

IUPAC3-chloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-9(4-3-7-13)15-12(16)10-5-2-6-11(14)8-10/h2,5-6,8-9H,3-4,7H2,1H3,(H,15,16)
InChIKeyULMXSAXYKYUQIO-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.48
Rot. Bonds5

About 3-chloro-N-(5-chloropentan-2-yl)benzamide

3-chloro-N-(5-chloropentan-2-yl)benzamide (PubChem CID 114305976) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-chloro-N-(5-chloropentan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloropentan-2-yl)benzamide
PubChem CID114305976
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-chloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-9(4-3-7-13)15-12(16)10-5-2-6-11(14)8-10/h2,5-6,8-9H,3-4,7H2,1H3,(H,15,16)
InChIKeyULMXSAXYKYUQIO-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.48
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

3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
3-chloro-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide
CID 70987923
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
3-chloro-N-(5-chloropentan-2-yl)-4-methylbenzamide
CID 114305932
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
CID 107993905
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloropentan-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-chloropentan-2-yl)benzamide (CID 114305976) is 3-chloro-N-(5-chloropentan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-chloropentan-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-chloropentan-2-yl)benzamide is CC(CCCCl)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-chloropentan-2-yl)benzamide?
The InChIKey is ULMXSAXYKYUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-9(4-3-7-13)15-12(16)10-5-2-6-11(14)8-10/h2,5-6,8-9H,3-4,7H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-(5-chloropentan-2-yl)benzamide?
3-chloro-N-(5-chloropentan-2-yl)benzamide has a molecular weight of 260.16 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloropentan-2-yl)benzamide is sourced from PubChem (CID 114305976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).