N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide

C22H19Cl3N2O — CID 142818729

IUPACN-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide
SMILESNC(NC(=O)c1ccccc1Cl)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O/c23-16-9-5-14(6-10-16)13-19(15-7-11-17(24)12-8-15)21(26)27-22(28)18-3-1-2-4-20(18)25/h1-12,19,21H,13,26H2,(H,27,28)/t19-,21?/m1/s1
InChIKeyAWMGDYAQKIOTCW-YMBRHYMPSA-N
MW433.77 g/mol
LogP5.69
Rot. Bonds6

About N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide

N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide (PubChem CID 142818729) has the molecular formula C22H19Cl3N2O and a molecular weight of 433.77 g/mol. Its IUPAC name is N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide
PubChem CID142818729
Molecular FormulaC22H19Cl3N2O
Molecular Weight433.77 g/mol
Exact Mass432.06
IUPAC NameN-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide
SMILESNC(NC(=O)c1ccccc1Cl)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl3N2O/c23-16-9-5-14(6-10-16)13-19(15-7-11-17(24)12-8-15)21(26)27-22(28)18-3-1-2-4-20(18)25/h1-12,19,21H,13,26H2,(H,27,28)/t19-,21?/m1/s1
InChIKeyAWMGDYAQKIOTCW-YMBRHYMPSA-N
XLogP5.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.77
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
2-chloro-N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9218518
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
CID 23404775
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide?
The IUPAC name of N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide (CID 142818729) is N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide.
What is the SMILES notation for N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide?
The canonical SMILES for N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide is NC(NC(=O)c1ccccc1Cl)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide?
The InChIKey is AWMGDYAQKIOTCW-YMBRHYMPSA-N. The full InChI is InChI=1S/C22H19Cl3N2O/c23-16-9-5-14(6-10-16)13-19(15-7-11-17(24)12-8-15)21(26)27-22(28)18-3-1-2-4-20(18)25/h1-12,19,21H,13,26H2,(H,27,28)/t19-,21?/m1/s1.
What are the key properties of N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide?
N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide has a molecular weight of 433.77 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-2,3-bis(4-chlorophenyl)propyl]-2-chlorobenzamide is sourced from PubChem (CID 142818729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).