N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide

C16H24ClNO — CID 106355559

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCCl)C(C)(C)C)cc1
InChIInChI=1S/C16H24ClNO/c1-5-12-6-8-13(9-7-12)15(19)18-14(10-11-17)16(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyMTURKGDCUBQCKR-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.02
Rot. Bonds5

About N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide (PubChem CID 106355559) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
PubChem CID106355559
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(CCCl)C(C)(C)C)cc1
InChIInChI=1S/C16H24ClNO/c1-5-12-6-8-13(9-7-12)15(19)18-14(10-11-17)16(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyMTURKGDCUBQCKR-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.02
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-amino-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106357055
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethoxybenzamide
CID 106355606
N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
CID 114177682
5-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355672
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-ethylthiophene-2-carboxamide
CID 106355739
3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355662
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-hydroxy-4-methoxybenzamide
CID 106355864
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
5-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)pyridine-3-carboxamide
CID 106355742
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
CID 119325324
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide
CID 106355828

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide (CID 106355559) is N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(CCCl)C(C)(C)C)cc1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
The InChIKey is MTURKGDCUBQCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-5-12-6-8-13(9-7-12)15(19)18-14(10-11-17)16(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide has a molecular weight of 281.83 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide is sourced from PubChem (CID 106355559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).