N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide

C10H11ClFNO2 — CID 102883572

IUPACN-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCl)c(F)c1
InChIInChI=1S/C10H11ClFNO2/c1-15-7-2-3-8(9(12)6-7)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyMLWIZDOSUAGDHY-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.80
Rot. Bonds4

About N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide

N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102883572) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
PubChem CID102883572
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC NameN-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCl)c(F)c1
InChIInChI=1S/C10H11ClFNO2/c1-15-7-2-3-8(9(12)6-7)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyMLWIZDOSUAGDHY-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.80
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

2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
CID 103951557
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
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2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 86921725
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide (CID 102883572) is N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NCCCl)c(F)c1.
What is the InChIKey of N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is MLWIZDOSUAGDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-15-7-2-3-8(9(12)6-7)10(14)13-5-4-11/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide?
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 231.65 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102883572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).