N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide

C12H15ClFNO — CID 114303803

IUPACN-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccccc1F
InChIInChI=1S/C12H15ClFNO/c1-3-12(2,8-13)15-11(16)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyAEHAYFOYCWLSNR-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.96
Rot. Bonds4

About N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide

N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide (PubChem CID 114303803) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
PubChem CID114303803
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
SMILESCCC(C)(CCl)NC(=O)c1ccccc1F
InChIInChI=1S/C12H15ClFNO/c1-3-12(2,8-13)15-11(16)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyAEHAYFOYCWLSNR-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.96
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

2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
N-(1-chloro-2-methylbutan-2-yl)-2,3,4-trifluorobenzamide
CID 114303732
N-(1-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016825
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
CID 107868190
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,3-difluorobenzamide
CID 114010884
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503133
2-chloro-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 106863915
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide (CID 114303803) is N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide is CCC(C)(CCl)NC(=O)c1ccccc1F.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide?
The InChIKey is AEHAYFOYCWLSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-3-12(2,8-13)15-11(16)9-6-4-5-7-10(9)14/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide?
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide has a molecular weight of 243.71 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 114303803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).