2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide

C14H12Cl3NO — CID 14511505

IUPAC2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)C(Cl)(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C14H12Cl3NO/c1-9(18-13(19)14(15,16)17)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H,18,19)
InChIKeyDEEAAUIMHCBHSV-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.39
Rot. Bonds2

About 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide

2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 14511505) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID14511505
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)C(Cl)(Cl)Cl)c1cccc2ccccc12
InChIInChI=1S/C14H12Cl3NO/c1-9(18-13(19)14(15,16)17)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H,18,19)
InChIKeyDEEAAUIMHCBHSV-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-amino-2-ethyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 79815235
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
tert-butyl N-[(3R)-2,2-dimethyl-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-3-yl]carbamate
CID 10739656

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide (CID 14511505) is 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)C(Cl)(Cl)Cl)c1cccc2ccccc12.
What is the InChIKey of 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is DEEAAUIMHCBHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c1-9(18-13(19)14(15,16)17)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3,(H,18,19).
What are the key properties of 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide?
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 316.62 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 14511505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).