N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide

C15H14Cl2N2O — CID 50881110

IUPACN-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-9-3-5-10(6-4-9)15(20)19-14-8-11(16)13(18)7-12(14)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyIRGDPVYCWGQJRF-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.39
Rot. Bonds3

About N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide

N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide (PubChem CID 50881110) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
PubChem CID50881110
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-2-9-3-5-10(6-4-9)15(20)19-14-8-11(16)13(18)7-12(14)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyIRGDPVYCWGQJRF-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.39
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

N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
CID 140748908
CID 140748908
N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
CID 50881968
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide?
The IUPAC name of N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide (CID 50881110) is N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide?
The canonical SMILES for N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc(Cl)c(N)cc2Cl)cc1.
What is the InChIKey of N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide?
The InChIKey is IRGDPVYCWGQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-9-3-5-10(6-4-9)15(20)19-14-8-11(16)13(18)7-12(14)17/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide?
N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide has a molecular weight of 309.20 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide is sourced from PubChem (CID 50881110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).