N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide

C11H13ClFNO2 — CID 114296589

IUPACN-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)Cl)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-7(12)6-14-11(15)8-3-4-10(16-2)9(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyAMIUXFODFWGCCL-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.19
Rot. Bonds4

About N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide

N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide (PubChem CID 114296589) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
PubChem CID114296589
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)Cl)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-7(12)6-14-11(15)8-3-4-10(16-2)9(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyAMIUXFODFWGCCL-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.19
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-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
3-fluoro-4-methoxy-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 97417485
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide (CID 114296589) is N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)Cl)cc1F.
What is the InChIKey of N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is AMIUXFODFWGCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-7(12)6-14-11(15)8-3-4-10(16-2)9(13)5-8/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide?
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 245.68 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 114296589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).