N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide

C19H19Cl2NO3 — CID 77465516

IUPACN-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide
SMILESCC(=O)c1ccc(-c2ccc(CC(CO)NC(=O)C(Cl)Cl)cc2)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-12(24)14-6-8-16(9-7-14)15-4-2-13(3-5-15)10-17(11-23)22-19(25)18(20)21/h2-9,17-18,23H,10-11H2,1H3,(H,22,25)
InChIKeyPGYUMAWRCUMFKH-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.38
Rot. Bonds7

About N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide

N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide (PubChem CID 77465516) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide
PubChem CID77465516
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC NameN-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide
SMILESCC(=O)c1ccc(-c2ccc(CC(CO)NC(=O)C(Cl)Cl)cc2)cc1
InChIInChI=1S/C19H19Cl2NO3/c1-12(24)14-6-8-16(9-7-14)15-4-2-13(3-5-15)10-17(11-23)22-19(25)18(20)21/h2-9,17-18,23H,10-11H2,1H3,(H,22,25)
InChIKeyPGYUMAWRCUMFKH-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-1-[4-(4-acetylphenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 58631081
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566
methyl (2S)-3-[4-(4-acetylphenyl)phenyl]-2-aminopropanoate;hydrochloride
CID 46172850
tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 144792682
3-[(4-acetylphenyl)methyl]-4-aminobutan-2-one
CID 70492292
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
ethyl 3-(4-acetylphenyl)-2-chloropropanoate
CID 19752452
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide?
The IUPAC name of N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide (CID 77465516) is N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide.
What is the SMILES notation for N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide?
The canonical SMILES for N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide is CC(=O)c1ccc(-c2ccc(CC(CO)NC(=O)C(Cl)Cl)cc2)cc1.
What is the InChIKey of N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide?
The InChIKey is PGYUMAWRCUMFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-12(24)14-6-8-16(9-7-14)15-4-2-13(3-5-15)10-17(11-23)22-19(25)18(20)21/h2-9,17-18,23H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide?
N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide has a molecular weight of 380.27 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide is sourced from PubChem (CID 77465516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).