N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide

C15H13ClF2N2O — CID 82772425

IUPACN-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
SMILESCCN(C(=O)c1cc(F)c(Cl)cc1F)c1ccccc1N
InChIInChI=1S/C15H13ClF2N2O/c1-2-20(14-6-4-3-5-13(14)19)15(21)9-7-12(18)10(16)8-11(9)17/h3-8H,2,19H2,1H3
InChIKeySOBCXXFLKPBYLB-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.87
Rot. Bonds3

About N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide

N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide (PubChem CID 82772425) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
PubChem CID82772425
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC NameN-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
SMILESCCN(C(=O)c1cc(F)c(Cl)cc1F)c1ccccc1N
InChIInChI=1S/C15H13ClF2N2O/c1-2-20(14-6-4-3-5-13(14)19)15(21)9-7-12(18)10(16)8-11(9)17/h3-8H,2,19H2,1H3
InChIKeySOBCXXFLKPBYLB-UHFFFAOYSA-N
XLogP3.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 65237675
N-(2-aminophenyl)-2-fluoro-4-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107674484
N-(2-aminophenyl)-2-bromo-4-chloro-N-propylbenzamide
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1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
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CID 105069177

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The IUPAC name of N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide (CID 82772425) is N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The canonical SMILES for N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide is CCN(C(=O)c1cc(F)c(Cl)cc1F)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The InChIKey is SOBCXXFLKPBYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-2-20(14-6-4-3-5-13(14)19)15(21)9-7-12(18)10(16)8-11(9)17/h3-8H,2,19H2,1H3.
What are the key properties of N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-chloro-N-ethyl-2,5-difluorobenzamide is sourced from PubChem (CID 82772425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).