N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide

C14H19ClFNO — CID 107156883

IUPACN-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
SMILESCC(C)(C)CC(Cl)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19ClFNO/c1-14(2,3)8-11(15)9-17-13(18)10-5-4-6-12(16)7-10/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChIKeyUXEYOYLDUZJEQY-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.60
Rot. Bonds4

About N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide

N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide (PubChem CID 107156883) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
PubChem CID107156883
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
SMILESCC(C)(C)CC(Cl)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19ClFNO/c1-14(2,3)8-11(15)9-17-13(18)10-5-4-6-12(16)7-10/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChIKeyUXEYOYLDUZJEQY-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.60
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-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
3-chloro-N-(2-chloro-4,4-dimethylpentyl)-4-fluorobenzamide
CID 107156981
N-(2-chloro-4,4-dimethylpentyl)-3-nitrobenzamide
CID 107156902
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
CID 168911378
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
2-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217601
1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
CID 177180681
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide (CID 107156883) is N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide is CC(C)(C)CC(Cl)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide?
The InChIKey is UXEYOYLDUZJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-14(2,3)8-11(15)9-17-13(18)10-5-4-6-12(16)7-10/h4-7,11H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide?
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide has a molecular weight of 271.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide is sourced from PubChem (CID 107156883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).