N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide

C12H15ClFNO — CID 114302810

IUPACN-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCC(C)CCl
InChIInChI=1S/C12H15ClFNO/c1-8(6-13)7-15-12(16)11-5-10(14)4-3-9(11)2/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyVZKQPMPNHBONBC-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.74
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide

N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide (PubChem CID 114302810) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
PubChem CID114302810
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCC(C)CCl
InChIInChI=1S/C12H15ClFNO/c1-8(6-13)7-15-12(16)11-5-10(14)4-3-9(11)2/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyVZKQPMPNHBONBC-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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

5-fluoro-2-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512684
N-(1-chloro-3-methylbutan-2-yl)-5-fluoro-2-methylbenzamide
CID 114305601
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483
N-(3-chloro-2-methylpropyl)-2-fluoro-4-hydroxybenzamide
CID 107677629
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
2-bromo-N-(3-chloro-2-methylpropyl)-3-methylbenzamide
CID 107983962
4-[(5-chloro-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 82883425

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide (CID 114302810) is N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCC(C)CCl.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide?
The InChIKey is VZKQPMPNHBONBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-8(6-13)7-15-12(16)11-5-10(14)4-3-9(11)2/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide?
N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide has a molecular weight of 243.71 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 114302810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).