3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide

C17H16ClF2NO3 — CID 37392157

IUPAC3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCc2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C17H16ClF2NO3/c1-3-24-16-14(18)6-11(7-15(16)23-2)17(22)21-9-10-4-12(19)8-13(20)5-10/h4-8H,3,9H2,1-2H3,(H,21,22)
InChIKeyQBLMXUSJBNMAOS-UHFFFAOYSA-N
MW355.77 g/mol
LogP3.96
Rot. Bonds6

About 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide

3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide (PubChem CID 37392157) has the molecular formula C17H16ClF2NO3 and a molecular weight of 355.77 g/mol. Its IUPAC name is 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
PubChem CID37392157
Molecular FormulaC17H16ClF2NO3
Molecular Weight355.77 g/mol
Exact Mass355.08
IUPAC Name3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCc2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C17H16ClF2NO3/c1-3-24-16-14(18)6-11(7-15(16)23-2)17(22)21-9-10-4-12(19)8-13(20)5-10/h4-8H,3,9H2,1-2H3,(H,21,22)
InChIKeyQBLMXUSJBNMAOS-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60533347
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
N-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55596801
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 55949411
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methylsulfonylbenzamide
CID 47063310
3-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 55890853
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 26457001
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 26239702

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide (CID 37392157) is 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NCc2cc(F)cc(F)c2)cc1OC.
What is the InChIKey of 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide?
The InChIKey is QBLMXUSJBNMAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO3/c1-3-24-16-14(18)6-11(7-15(16)23-2)17(22)21-9-10-4-12(19)8-13(20)5-10/h4-8H,3,9H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide?
3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide has a molecular weight of 355.77 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,5-difluorophenyl)methyl]-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 37392157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).