N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide

C12H15ClFNO2 — CID 106182347

IUPACN-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide
SMILESCOCC(CCl)NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C12H15ClFNO2/c1-8-3-4-9(14)5-11(8)12(16)15-10(6-13)7-17-2/h3-5,10H,6-7H2,1-2H3,(H,15,16)
InChIKeyMWECWFWQOMLKKP-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.12
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide

N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide (PubChem CID 106182347) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide
PubChem CID106182347
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide
SMILESCOCC(CCl)NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C12H15ClFNO2/c1-8-3-4-9(14)5-11(8)12(16)15-10(6-13)7-17-2/h3-5,10H,6-7H2,1-2H3,(H,15,16)
InChIKeyMWECWFWQOMLKKP-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-5-fluoro-2-methylbenzamide
CID 114305601
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
N-(1-chloro-4-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114211943
N-(3-bromo-4-methoxybutyl)-5-fluoro-2-methylbenzamide
CID 106244956
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345
N-(1-chloro-3-methoxypropan-2-yl)-2-hydroxy-4-methylbenzamide
CID 106183449
N-(4-chloro-1-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114151231
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 106183145
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
N-(1-chloro-4-methylpentan-2-yl)-2,5-difluorobenzamide
CID 113272540
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(1-aminopentan-2-yl)-5-fluoro-2-methylbenzamide
CID 65191269

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide (CID 106182347) is N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide is COCC(CCl)NC(=O)c1cc(F)ccc1C.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide?
The InChIKey is MWECWFWQOMLKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8-3-4-9(14)5-11(8)12(16)15-10(6-13)7-17-2/h3-5,10H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide?
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 106182347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).