N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide

C11H13ClFNO2 — CID 107677539

IUPACN-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
SMILESCCN(CCCl)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-2-14(6-5-12)11(16)9-4-3-8(15)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyUMQXRBPDLQABKE-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.23
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide

N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide (PubChem CID 107677539) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
PubChem CID107677539
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
SMILESCCN(CCCl)C(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H13ClFNO2/c1-2-14(6-5-12)11(16)9-4-3-8(15)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3
InChIKeyUMQXRBPDLQABKE-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 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 ≤ 52.23
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

3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-benzyl-N-(2-chloroethyl)-2-fluoro-4-hydroxybenzamide
CID 107677531
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
2-chloro-N-(3-chloropropyl)-N-ethyl-5-hydroxybenzamide
CID 106503200
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide (CID 107677539) is N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide is CCN(CCCl)C(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
The InChIKey is UMQXRBPDLQABKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-2-14(6-5-12)11(16)9-4-3-8(15)7-10(9)13/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide?
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide has a molecular weight of 245.68 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).