4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

C15H14Cl2N2O — CID 43101350

IUPAC4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9(13-7-4-11(16)8-14(13)17)19-15(20)10-2-5-12(18)6-3-10/h2-9H,18H2,1H3,(H,19,20)
InChIKeyGBGDHNACQFEQOX-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.07
Rot. Bonds3

About 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (PubChem CID 43101350) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
PubChem CID43101350
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9(13-7-4-11(16)8-14(13)17)19-15(20)10-2-5-12(18)6-3-10/h2-9H,18H2,1H3,(H,19,20)
InChIKeyGBGDHNACQFEQOX-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
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-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
4-[(carbamoylamino)methyl]-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 78772937
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
1-[1-(2,4-dichlorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]urea
CID 46653640
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60628969
3-cyano-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 4822223
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (CID 43101350) is 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is GBGDHNACQFEQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9(13-7-4-11(16)8-14(13)17)19-15(20)10-2-5-12(18)6-3-10/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 309.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 43101350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).