2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide

C13H11ClN2O2 — CID 12609099

IUPAC2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C13H11ClN2O2/c14-8-12(17)16-13(18)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,15,16,17,18)
InChIKeyUQXOFQMLOUHAHC-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.73
Rot. Bonds2

About 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide

2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide (PubChem CID 12609099) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
PubChem CID12609099
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C13H11ClN2O2/c14-8-12(17)16-13(18)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,15,16,17,18)
InChIKeyUQXOFQMLOUHAHC-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.73
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

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
CID 43146054
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
chloro-N-(naphthalen-1-ylcarbamoyl)phosphonamidic acid
CID 91621928
2-chloro-N-[(2-phenoxyphenyl)carbamoyl]acetamide
CID 43328802
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide (CID 12609099) is 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide is O=C(CCl)NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide?
The InChIKey is UQXOFQMLOUHAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-8-12(17)16-13(18)15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide?
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide has a molecular weight of 262.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide is sourced from PubChem (CID 12609099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).