2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide

C17H17ClFNO3 — CID 26212713

IUPAC2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1OCC
InChIInChI=1S/C17H17ClFNO3/c1-3-22-15-8-6-12(10-16(15)23-4-2)20-17(21)13-7-5-11(19)9-14(13)18/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyPOQKDYAYGRNTBU-UHFFFAOYSA-N
MW337.78 g/mol
LogP4.53
Rot. Bonds6

About 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide

2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide (PubChem CID 26212713) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
PubChem CID26212713
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1OCC
InChIInChI=1S/C17H17ClFNO3/c1-3-22-15-8-6-12(10-16(15)23-4-2)20-17(21)13-7-5-11(19)9-14(13)18/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyPOQKDYAYGRNTBU-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
CID 26878655
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
2-chloro-N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-4-fluorobenzamide
CID 42474455
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide (CID 26212713) is 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide is CCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide?
The InChIKey is POQKDYAYGRNTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-3-22-15-8-6-12(10-16(15)23-4-2)20-17(21)13-7-5-11(19)9-14(13)18/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide?
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide has a molecular weight of 337.78 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 26212713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).