N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide

C15H14ClFN2O — CID 43297866

IUPACN-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccccc1N
InChIInChI=1S/C15H14ClFN2O/c1-9(11-4-2-3-5-14(11)18)19-15(20)12-7-6-10(17)8-13(12)16/h2-9H,18H2,1H3,(H,19,20)
InChIKeyJZWPHHSZKSIRFS-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide

N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide (PubChem CID 43297866) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
PubChem CID43297866
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccccc1N
InChIInChI=1S/C15H14ClFN2O/c1-9(11-4-2-3-5-14(11)18)19-15(20)12-7-6-10(17)8-13(12)16/h2-9H,18H2,1H3,(H,19,20)
InChIKeyJZWPHHSZKSIRFS-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide (CID 43297866) is N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1Cl)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide?
The InChIKey is JZWPHHSZKSIRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9(11-4-2-3-5-14(11)18)19-15(20)12-7-6-10(17)8-13(12)16/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide?
N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 43297866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).