2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide

C26H22Cl2N2O2 — CID 118415065

IUPAC2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide
SMILESO=C(CCl)N[C@@H](c1cccc2ccccc12)[C@@H](NC(=O)CCl)c1cccc2ccccc12
InChIInChI=1S/C26H22Cl2N2O2/c27-15-23(31)29-25(21-13-5-9-17-7-1-3-11-19(17)21)26(30-24(32)16-28)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,25-26H,15-16H2,(H,29,31)(H,30,32)/t25-,26-/m0/s1
InChIKeyXJYUUKCJGYQYMV-UIOOFZCWSA-N
MW465.38 g/mol
LogP5.49
Rot. Bonds7

About 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide

2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide (PubChem CID 118415065) has the molecular formula C26H22Cl2N2O2 and a molecular weight of 465.38 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide
PubChem CID118415065
Molecular FormulaC26H22Cl2N2O2
Molecular Weight465.38 g/mol
Exact Mass464.11
IUPAC Name2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide
SMILESO=C(CCl)N[C@@H](c1cccc2ccccc12)[C@@H](NC(=O)CCl)c1cccc2ccccc12
InChIInChI=1S/C26H22Cl2N2O2/c27-15-23(31)29-25(21-13-5-9-17-7-1-3-11-19(17)21)26(30-24(32)16-28)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,25-26H,15-16H2,(H,29,31)(H,30,32)/t25-,26-/m0/s1
InChIKeyXJYUUKCJGYQYMV-UIOOFZCWSA-N
XLogP5.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.38
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-chloro-2-naphthalen-1-ylacetyl chloride;methane
CID 174783201
2-chloro-2-naphthalen-1-yl-N-propylacetamide
CID 62224763
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
(2-amino-2-naphthalen-1-ylethyl)carbamic acid
CID 150721997
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
3-naphthalen-1-ylbutanoic acid
CID 43211329

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide?
The IUPAC name of 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide (CID 118415065) is 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide is O=C(CCl)N[C@@H](c1cccc2ccccc12)[C@@H](NC(=O)CCl)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide?
The InChIKey is XJYUUKCJGYQYMV-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H22Cl2N2O2/c27-15-23(31)29-25(21-13-5-9-17-7-1-3-11-19(17)21)26(30-24(32)16-28)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,25-26H,15-16H2,(H,29,31)(H,30,32)/t25-,26-/m0/s1.
What are the key properties of 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide?
2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide has a molecular weight of 465.38 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2S)-2-[(2-chloroacetyl)amino]-1,2-dinaphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 118415065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).