N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide

C14H19ClFNO — CID 106168756

IUPACN-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H19ClFNO/c1-4-14(3,5-6-15)17-13(18)11-7-10(2)8-12(16)9-11/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyMOXHDEHPROFGDV-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.66
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide

N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide (PubChem CID 106168756) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
PubChem CID106168756
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H19ClFNO/c1-4-14(3,5-6-15)17-13(18)11-7-10(2)8-12(16)9-11/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyMOXHDEHPROFGDV-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.66
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-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(2-cyanobutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113244762
N-(1-chloro-3-methylpentan-3-yl)-3-methyl-4-nitrobenzamide
CID 106168375
4-bromo-N-(1-chloro-3-methylpentan-3-yl)-2,6-difluorobenzamide
CID 114153064
4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 91636058
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
CID 106168112
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
N-[3-(chloromethyl)pentan-3-yl]-3,5-difluorobenzamide
CID 114304531
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106168152
N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106168140

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide (CID 106168756) is N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide is CCC(C)(CCCl)NC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide?
The InChIKey is MOXHDEHPROFGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-4-14(3,5-6-15)17-13(18)11-7-10(2)8-12(16)9-11/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide?
N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide has a molecular weight of 271.76 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 106168756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).