N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide

C16H13ClFNO3 — CID 87294357

IUPACN-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide
SMILESCCOc1ccc(F)cc1C(=O)c1cc(Cl)ccc1NC=O
InChIInChI=1S/C16H13ClFNO3/c1-2-22-15-6-4-11(18)8-13(15)16(21)12-7-10(17)3-5-14(12)19-9-20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyBNHFLGIVJVFMTI-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.68
Rot. Bonds6

About N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide

N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide (PubChem CID 87294357) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide
PubChem CID87294357
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC NameN-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide
SMILESCCOc1ccc(F)cc1C(=O)c1cc(Cl)ccc1NC=O
InChIInChI=1S/C16H13ClFNO3/c1-2-22-15-6-4-11(18)8-13(15)16(21)12-7-10(17)3-5-14(12)19-9-20/h3-9H,2H2,1H3,(H,19,20)
InChIKeyBNHFLGIVJVFMTI-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-ethoxy-4-fluoroanilino)benzoic acid
CID 155452555
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
N-[4-chloro-2-(2-phenoxybenzoyl)phenyl]formamide
CID 88886136
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
(4-bromophenyl)-(5-chloro-2-ethoxyphenyl)methanone;N-(2-methyl-4-thiomorpholin-4-ylphenyl)formamide
CID 142047821
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
CID 134618705
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
4-chloro-1-(2-ethoxy-5-fluorophenyl)butan-1-one
CID 82268262
5-chloro-2-ethoxy-4-formamidobenzoic acid
CID 14877393
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide?
The IUPAC name of N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide (CID 87294357) is N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide.
What is the SMILES notation for N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide?
The canonical SMILES for N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide is CCOc1ccc(F)cc1C(=O)c1cc(Cl)ccc1NC=O.
What is the InChIKey of N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide?
The InChIKey is BNHFLGIVJVFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-2-22-15-6-4-11(18)8-13(15)16(21)12-7-10(17)3-5-14(12)19-9-20/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide?
N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide has a molecular weight of 321.74 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-ethoxy-5-fluorobenzoyl)phenyl]formamide is sourced from PubChem (CID 87294357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).