1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone

C15H13Cl2NO — CID 22008583

IUPAC1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO/c1-9(19)11-4-2-10(3-5-11)6-13-14(16)7-12(18)8-15(13)17/h2-5,7-8H,6,18H2,1H3
InChIKeyFIUUXRLZHKHUKO-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.37
Rot. Bonds3

About 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone

1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone (PubChem CID 22008583) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone
PubChem CID22008583
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(Cc2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO/c1-9(19)11-4-2-10(3-5-11)6-13-14(16)7-12(18)8-15(13)17/h2-5,7-8H,6,18H2,1H3
InChIKeyFIUUXRLZHKHUKO-UHFFFAOYSA-N
XLogP4.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]phenyl]phenyl]ethanone
CID 19967831
1-[4-(4-amino-2-chloroanilino)phenyl]ethanone
CID 82302045
2-[4-[(4-acetylphenyl)methyl]-3,5-dichlorophenyl]-4,5-dihydro-3H-1,2,4-triazine-3-carbaldehyde
CID 174368414
1-[4-[[4-[(3-acetylphenyl)methyl]phenyl]methyl]phenyl]ethanone
CID 101265569
2-(4-acetylphenyl)acetyl chloride
CID 19746515
1-[4-(2,2-dimethylpropyl)phenyl]ethanone
CID 20645073
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
2-[4-[(4-acetylphenyl)methyl]-2,6-difluorophenyl]acetic acid
CID 155664258
1-(4-acetylphenyl)ethanone;methane
CID 159515104
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide
CID 28723012
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
1-[1-[(4-aminophenyl)methyl]pyrrol-3-yl]ethanone
CID 84750947

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone (CID 22008583) is 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone is CC(=O)c1ccc(Cc2c(Cl)cc(N)cc2Cl)cc1.
What is the InChIKey of 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone?
The InChIKey is FIUUXRLZHKHUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9(19)11-4-2-10(3-5-11)6-13-14(16)7-12(18)8-15(13)17/h2-5,7-8H,6,18H2,1H3.
What are the key properties of 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone?
1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone has a molecular weight of 294.18 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-amino-2,6-dichlorophenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 22008583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).