N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide

C16H15ClFNO3 — CID 113102932

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFNO3/c1-21-14-5-3-2-4-12(14)16(20)19-8-9-22-15-7-6-11(18)10-13(15)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyWHOQHTZLNNMSRX-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide (PubChem CID 113102932) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
PubChem CID113102932
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCOc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClFNO3/c1-21-14-5-3-2-4-12(14)16(20)19-8-9-22-15-7-6-11(18)10-13(15)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyWHOQHTZLNNMSRX-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112976999
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
N-[2-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2-ethylphenyl)urea
CID 112977049

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide (CID 113102932) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCOc1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide?
The InChIKey is WHOQHTZLNNMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-21-14-5-3-2-4-12(14)16(20)19-8-9-22-15-7-6-11(18)10-13(15)17/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide has a molecular weight of 323.75 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113102932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).