3,5-dichloro-N-(5-chloropentan-2-yl)benzamide

C12H14Cl3NO — CID 114305934

IUPAC3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl3NO/c1-8(3-2-4-13)16-12(17)9-5-10(14)7-11(15)6-9/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyMWBNCURYTGGOHA-UHFFFAOYSA-N
MW294.61 g/mol
LogP4.13
Rot. Bonds5

About 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide

3,5-dichloro-N-(5-chloropentan-2-yl)benzamide (PubChem CID 114305934) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
PubChem CID114305934
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14Cl3NO/c1-8(3-2-4-13)16-12(17)9-5-10(14)7-11(15)6-9/h5-8H,2-4H2,1H3,(H,16,17)
InChIKeyMWBNCURYTGGOHA-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 54.13
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-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
3-chloro-N-(5-chloropentan-2-yl)-4-methylbenzamide
CID 114305932
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
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-(5-chloropentan-2-yl)-4-(difluoromethoxy)benzamide
CID 114305939
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3-chloro-N-(5-hydroxypentan-2-yl)-5-nitrobenzamide
CID 81002754
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
CID 107706110
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
CID 81323373

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide (CID 114305934) is 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide is CC(CCCCl)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide?
The InChIKey is MWBNCURYTGGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-8(3-2-4-13)16-12(17)9-5-10(14)7-11(15)6-9/h5-8H,2-4H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide?
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide has a molecular weight of 294.61 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-chloropentan-2-yl)benzamide is sourced from PubChem (CID 114305934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).