N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide

C16H16ClN3O3 — CID 8898566

IUPACN-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H16ClN3O3/c1-11(12-5-3-2-4-6-12)18-10-16(21)19-14-8-7-13(17)9-15(14)20(22)23/h2-9,11,18H,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyYYPFYSMFWSFMNZ-NSHDSACASA-N
MW333.78 g/mol
LogP3.54
Rot. Bonds6

About N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide

N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide (PubChem CID 8898566) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
PubChem CID8898566
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H16ClN3O3/c1-11(12-5-3-2-4-6-12)18-10-16(21)19-14-8-7-13(17)9-15(14)20(22)23/h2-9,11,18H,10H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyYYPFYSMFWSFMNZ-NSHDSACASA-N
XLogP3.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.54
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

N-(5-chloro-2-nitrophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336439
N-(5-chloro-2-nitrophenyl)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9331654
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9331355
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
CID 9254284
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093
2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 7778820
N-(5-chloro-2-nitrophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393376
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
(2S)-2-amino-N-(4-chloro-2-nitrophenyl)-2-phenylacetamide
CID 104897258
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9331511
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9307130

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide (CID 8898566) is N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide is C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
The InChIKey is YYPFYSMFWSFMNZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-11(12-5-3-2-4-6-12)18-10-16(21)19-14-8-7-13(17)9-15(14)20(22)23/h2-9,11,18H,10H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide?
N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide has a molecular weight of 333.78 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 8898566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).