4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide

C15H14Cl3N3O — CID 30467509

IUPAC4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](Nc2ccccn2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H14Cl3N3O/c1-10-5-7-11(8-6-10)13(22)21-14(15(16,17)18)20-12-4-2-3-9-19-12/h2-9,14H,1H3,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyPLGBNSMPCMPSLD-CQSZACIVSA-N
MW358.66 g/mol
LogP3.93
Rot. Bonds4

About 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide

4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide (PubChem CID 30467509) has the molecular formula C15H14Cl3N3O and a molecular weight of 358.66 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
PubChem CID30467509
Molecular FormulaC15H14Cl3N3O
Molecular Weight358.66 g/mol
Exact Mass357.02
IUPAC Name4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](Nc2ccccn2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H14Cl3N3O/c1-10-5-7-11(8-6-10)13(22)21-14(15(16,17)18)20-12-4-2-3-9-19-12/h2-9,14H,1H3,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyPLGBNSMPCMPSLD-CQSZACIVSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.66
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
CID 1321917
4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379540
4-methyl-N-[2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2843465
4-bromo-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide
CID 3090269
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide
CID 92846944
N-[(1S)-2,2,2-trichloro-1-(2,5-dimethylanilino)ethyl]pyridine-2-carboxamide
CID 1106857
4-methyl-N-[2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 2872694
4-methyl-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 2131109
N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide
CID 71600510
N-[(1S)-1-(1-adamantyl)-2-oxo-2-(pyridin-2-ylamino)ethyl]-4-methylbenzamide
CID 7233112
4-methyl-N-[(1R)-2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 2305777
4-methyl-N-[2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 5196273

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide (CID 30467509) is 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide is Cc1ccc(C(=O)N[C@@H](Nc2ccccn2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide?
The InChIKey is PLGBNSMPCMPSLD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14Cl3N3O/c1-10-5-7-11(8-6-10)13(22)21-14(15(16,17)18)20-12-4-2-3-9-19-12/h2-9,14H,1H3,(H,19,20)(H,21,22)/t14-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide?
4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide has a molecular weight of 358.66 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 30467509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).