N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide

C15H22ClNO — CID 114149573

IUPACN-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)CCCCl)c1
InChIInChI=1S/C15H22ClNO/c1-12-6-4-7-13(10-12)14(18)17-11-15(2,3)8-5-9-16/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyWEUUXBMTEOUNPB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.77
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide

N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide (PubChem CID 114149573) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
PubChem CID114149573
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)CCCCl)c1
InChIInChI=1S/C15H22ClNO/c1-12-6-4-7-13(10-12)14(18)17-11-15(2,3)8-5-9-16/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyWEUUXBMTEOUNPB-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.77
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

N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
3-bromo-5-chloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144604
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide (CID 114149573) is N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)(C)CCCCl)c1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide?
The InChIKey is WEUUXBMTEOUNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-6-4-7-13(10-12)14(18)17-11-15(2,3)8-5-9-16/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide?
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide has a molecular weight of 267.80 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide is sourced from PubChem (CID 114149573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).