4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide

C12H15Cl2NO — CID 114305535

IUPAC4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CCl)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO/c1-8(2)11(7-13)15-12(16)9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)
InChIKeyFCJDCQGIROWWJW-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide

4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide (PubChem CID 114305535) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
PubChem CID114305535
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CCl)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO/c1-8(2)11(7-13)15-12(16)9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)
InChIKeyFCJDCQGIROWWJW-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.33
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-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
CID 114305447
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-(1-chloro-3-methylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113273517
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
N-(1-chloro-3-methylbutan-2-yl)-6-methylpyridine-3-carboxamide
CID 114305415
N-(1-chloro-3-methylbutan-2-yl)-3-methylbenzamide
CID 114305541
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
N-(1-chloro-3-methylbutan-2-yl)-2,6-difluorobenzamide
CID 114305446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide (CID 114305535) is 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide is CC(C)C(CCl)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
The InChIKey is FCJDCQGIROWWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(2)11(7-13)15-12(16)9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide?
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide has a molecular weight of 260.16 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 114305535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).