2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide

C14H18Cl3NO — CID 114177852

IUPAC2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCCl)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl3NO/c1-14(2,3)11(7-8-15)18-13(19)9-5-4-6-10(16)12(9)17/h4-6,11H,7-8H2,1-3H3,(H,18,19)
InChIKeyIPERVEYJDARKDT-UHFFFAOYSA-N
MW322.66 g/mol
LogP4.77
Rot. Bonds4

About 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide

2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 114177852) has the molecular formula C14H18Cl3NO and a molecular weight of 322.66 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
PubChem CID114177852
Molecular FormulaC14H18Cl3NO
Molecular Weight322.66 g/mol
Exact Mass321.05
IUPAC Name2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCCl)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl3NO/c1-14(2,3)11(7-8-15)18-13(19)9-5-4-6-10(16)12(9)17/h4-6,11H,7-8H2,1-3H3,(H,18,19)
InChIKeyIPERVEYJDARKDT-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 54.77
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

(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
2-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-6-nitrobenzamide
CID 106355847
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 114177913
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 114177902
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
2-chloro-N-(4-chlorobutan-2-yl)-3-methylbenzamide
CID 83178225
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide
CID 106355828
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide (CID 114177852) is 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCCl)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is IPERVEYJDARKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO/c1-14(2,3)11(7-8-15)18-13(19)9-5-4-6-10(16)12(9)17/h4-6,11H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide?
2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 322.66 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 114177852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).