N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide

C16H14Cl3NO — CID 2305846

IUPACN-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl3NO/c1-11-7-9-12(10-8-11)14(16(17,18)19)20-15(21)13-5-3-2-4-6-13/h2-10,14H,1H3,(H,20,21)/t14-/m1/s1
InChIKeyROQQUOYFMATYNX-CQSZACIVSA-N
MW342.65 g/mol
LogP4.84
Rot. Bonds3

About N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide

N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 2305846) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide
PubChem CID2305846
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC NameN-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl3NO/c1-11-7-9-12(10-8-11)14(16(17,18)19)20-15(21)13-5-3-2-4-6-13/h2-10,14H,1H3,(H,20,21)/t14-/m1/s1
InChIKeyROQQUOYFMATYNX-CQSZACIVSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N-[(1S)-2,2,2-trichloro-1-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 2315863
N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
CID 135004139
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]benzamide
CID 3598985
4-methyl-N-[(1R)-2,2,2-trichloro-1-(dimethylamino)ethyl]benzamide
CID 904082
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
methyl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 7452073
ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide (CID 2305846) is N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is ROQQUOYFMATYNX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c1-11-7-9-12(10-8-11)14(16(17,18)19)20-15(21)13-5-3-2-4-6-13/h2-10,14H,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide?
N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 342.65 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 2305846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).