4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide

C14H17Cl3N2O — CID 824310

IUPAC4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](N2CCCC2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl3N2O/c1-10-4-6-11(7-5-10)12(20)18-13(14(15,16)17)19-8-2-3-9-19/h4-7,13H,2-3,8-9H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyGUYBVLYAQQGDQY-CYBMUJFWSA-N
MW335.66 g/mol
LogP3.52
Rot. Bonds3

About 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide

4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide (PubChem CID 824310) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide
PubChem CID824310
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](N2CCCC2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H17Cl3N2O/c1-10-4-6-11(7-5-10)12(20)18-13(14(15,16)17)19-8-2-3-9-19/h4-7,13H,2-3,8-9H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyGUYBVLYAQQGDQY-CYBMUJFWSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide
CID 1048977
4-methyl-N-[(1S)-2,2,2-trichloro-1-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 6947372
4-methyl-N-[2,2,2-trichloro-1-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]benzamide
CID 6574642
4-methyl-N-[(1S)-2,2,2-trichloro-1-[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]benzamide
CID 98593633
methyl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 7452073
4-methyl-N-[(1R)-2,2,2-trichloro-1-(dimethylamino)ethyl]benzamide
CID 904082
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide
CID 92846944
propan-2-yl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 6947071
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
CID 7032006
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide (CID 824310) is 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide is Cc1ccc(C(=O)N[C@H](N2CCCC2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is GUYBVLYAQQGDQY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c1-10-4-6-11(7-5-10)12(20)18-13(14(15,16)17)19-8-2-3-9-19/h4-7,13H,2-3,8-9H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide?
4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 335.66 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2,2,2-trichloro-1-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 824310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).