N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide

C15H14ClFN2O — CID 63230338

IUPACN-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1F)c1ccc(N)cc1
InChIInChI=1S/C15H14ClFN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-9-10(16)3-8-14(13)17/h3-9H,2,18H2,1H3
InChIKeyVDFWBONTFVXWJW-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.73
Rot. Bonds3

About N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide

N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide (PubChem CID 63230338) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
PubChem CID63230338
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1cc(Cl)ccc1F)c1ccc(N)cc1
InChIInChI=1S/C15H14ClFN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-9-10(16)3-8-14(13)17/h3-9H,2,18H2,1H3
InChIKeyVDFWBONTFVXWJW-UHFFFAOYSA-N
XLogP3.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 63230469
5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide
CID 62002734
N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 55175946
5-chloro-N-ethyl-2-fluoro-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28516961
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
N-(4-aminophenyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 63234084
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
5-amino-2-chloro-N-(4-fluorophenyl)-N-propylbenzamide
CID 122618788
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
N-(3-aminophenyl)-4-chloro-N-ethyl-2-methoxybenzamide
CID 63229751

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide (CID 63230338) is N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide is CCN(C(=O)c1cc(Cl)ccc1F)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide?
The InChIKey is VDFWBONTFVXWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-9-10(16)3-8-14(13)17/h3-9H,2,18H2,1H3.
What are the key properties of N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide?
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 63230338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).