N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

C16H14Cl3N3O3 — CID 9254310

IUPACN-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3N3O3/c1-9(12-4-2-10(17)6-13(12)18)20-8-16(23)21-15-5-3-11(22(24)25)7-14(15)19/h2-7,9,20H,8H2,1H3,(H,21,23)/t9-/m1/s1
InChIKeyFALGXMLOMWHONJ-SECBINFHSA-N
MW402.67 g/mol
LogP4.84
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide

N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (PubChem CID 9254310) has the molecular formula C16H14Cl3N3O3 and a molecular weight of 402.67 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
PubChem CID9254310
Molecular FormulaC16H14Cl3N3O3
Molecular Weight402.67 g/mol
Exact Mass401.01
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3N3O3/c1-9(12-4-2-10(17)6-13(12)18)20-8-16(23)21-15-5-3-11(22(24)25)7-14(15)19/h2-7,9,20H,8H2,1H3,(H,21,23)/t9-/m1/s1
InChIKeyFALGXMLOMWHONJ-SECBINFHSA-N
XLogP4.84
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.67
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
CID 9254284
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253982
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
N-(2,4-dichlorophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086055
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 9253790
N-(2-bromophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254240
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 29116891
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-acetylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254442
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide (CID 9254310) is N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
The InChIKey is FALGXMLOMWHONJ-SECBINFHSA-N. The full InChI is InChI=1S/C16H14Cl3N3O3/c1-9(12-4-2-10(17)6-13(12)18)20-8-16(23)21-15-5-3-11(22(24)25)7-14(15)19/h2-7,9,20H,8H2,1H3,(H,21,23)/t9-/m1/s1.
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide?
N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide has a molecular weight of 402.67 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9254310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).