N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide

C13H17ClFNO — CID 55185523

IUPACN-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCl)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H17ClFNO/c1-10(2)16(8-7-14)13(17)9-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3
InChIKeyTZVORQVSGPLMCD-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.84
Rot. Bonds5

About N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide

N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide (PubChem CID 55185523) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
PubChem CID55185523
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCl)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H17ClFNO/c1-10(2)16(8-7-14)13(17)9-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3
InChIKeyTZVORQVSGPLMCD-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 80740905
N-butan-2-yl-N-butyl-2-(2-fluorophenyl)acetamide
CID 78805640
N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 77044509
N-(2-bromoethyl)-2-(2,3-difluorophenyl)-N-propan-2-ylacetamide
CID 80666213
(2S)-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633860
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(2-chloroethyl)-2-(2,5-dimethylphenyl)-N-propan-2-ylacetamide
CID 63393742
(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727038
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100683617
(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 100568060

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide (CID 55185523) is N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide is CC(C)N(CCCl)C(=O)Cc1ccccc1F.
What is the InChIKey of N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The InChIKey is TZVORQVSGPLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-10(2)16(8-7-14)13(17)9-11-5-3-4-6-12(11)15/h3-6,10H,7-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide has a molecular weight of 257.74 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 55185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).