3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide

C17H17ClFNO3 — CID 26239702

IUPAC3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2C)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-4-23-16-13(18)8-11(9-15(16)22-3)17(21)20-14-6-5-12(19)7-10(14)2/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyLTCQPNAPEKBMGP-UHFFFAOYSA-N
MW337.78 g/mol
LogP4.45
Rot. Bonds5

About 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide

3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide (PubChem CID 26239702) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
PubChem CID26239702
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC Name3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2C)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-4-23-16-13(18)8-11(9-15(16)22-3)17(21)20-14-6-5-12(19)7-10(14)2/h5-9H,4H2,1-3H3,(H,20,21)
InChIKeyLTCQPNAPEKBMGP-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-chloro-4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-5-methoxybenzamide
CID 55946908
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(Z)-prop-1-enyl]benzamide
CID 97432010
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24529374
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide (CID 26239702) is 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(F)cc2C)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide?
The InChIKey is LTCQPNAPEKBMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-4-23-16-13(18)8-11(9-15(16)22-3)17(21)20-14-6-5-12(19)7-10(14)2/h5-9H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide?
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide has a molecular weight of 337.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide is sourced from PubChem (CID 26239702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).