N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide

C17H16ClFN2O4 — CID 46555581

IUPACN-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(NC(C)=O)ccc2F)cc(Cl)c1OC
InChIInChI=1S/C17H16ClFN2O4/c1-9(22)20-11-4-5-13(19)14(8-11)21-17(23)10-6-12(18)16(25-3)15(7-10)24-2/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGFIFILKFRBDDPC-UHFFFAOYSA-N
MW366.78 g/mol
LogP3.71
Rot. Bonds5

About N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide

N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide (PubChem CID 46555581) has the molecular formula C17H16ClFN2O4 and a molecular weight of 366.78 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
PubChem CID46555581
Molecular FormulaC17H16ClFN2O4
Molecular Weight366.78 g/mol
Exact Mass366.08
IUPAC NameN-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(NC(C)=O)ccc2F)cc(Cl)c1OC
InChIInChI=1S/C17H16ClFN2O4/c1-9(22)20-11-4-5-13(19)14(8-11)21-17(23)10-6-12(18)16(25-3)15(7-10)24-2/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGFIFILKFRBDDPC-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[(4-acetamidophenyl)methyl]-3-chloro-4,5-dimethoxybenzamide
CID 46519975
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707606
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
(E)-N-(5-acetamido-2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39976511
(E)-N-(3-acetamido-4-fluorophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 24657758

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide (CID 46555581) is N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cc(NC(C)=O)ccc2F)cc(Cl)c1OC.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide?
The InChIKey is GFIFILKFRBDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4/c1-9(22)20-11-4-5-13(19)14(8-11)21-17(23)10-6-12(18)16(25-3)15(7-10)24-2/h4-8H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide?
N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide has a molecular weight of 366.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-3-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 46555581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).