5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide

C15H13Cl3N2O — CID 29286863

IUPAC5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c16-10-2-1-9(14(18)7-10)5-6-20-15(21)12-8-11(19)3-4-13(12)17/h1-4,7-8H,5-6,19H2,(H,20,21)
InChIKeyWIZSHFMRNNCPLY-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.20
Rot. Bonds4

About 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide

5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide (PubChem CID 29286863) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
PubChem CID29286863
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c16-10-2-1-9(14(18)7-10)5-6-20-15(21)12-8-11(19)3-4-13(12)17/h1-4,7-8H,5-6,19H2,(H,20,21)
InChIKeyWIZSHFMRNNCPLY-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.20
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

5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183
5-amino-2-[2-(2,4-dichlorophenyl)ethylamino]benzoic acid
CID 60988922
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 2547735
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64525006
N-[2-(2,4-dichlorophenyl)ethyl]-2,6-dihydroxybenzamide
CID 103890168
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
N-[2-(2,4-dichlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46651015
4-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-2-sulfanylbenzamide
CID 107021702
5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64517582
N-[2-(2,4-dichlorophenyl)ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235630

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide (CID 29286863) is 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide is Nc1ccc(Cl)c(C(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is WIZSHFMRNNCPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c16-10-2-1-9(14(18)7-10)5-6-20-15(21)12-8-11(19)3-4-13(12)17/h1-4,7-8H,5-6,19H2,(H,20,21).
What are the key properties of 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide?
5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 343.64 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 29286863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).