N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide

C14H19ClFNO — CID 55183329

IUPACN-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCCl)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H19ClFNO/c1-11(2)17(9-5-8-15)14(18)10-12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3
InChIKeyKQBZMPGUODMSKW-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.23
Rot. Bonds6

About N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide

N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide (PubChem CID 55183329) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
PubChem CID55183329
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCCl)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H19ClFNO/c1-11(2)17(9-5-8-15)14(18)10-12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3
InChIKeyKQBZMPGUODMSKW-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.23
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-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
N-(3-chloropropyl)-2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 80740905
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-butan-2-yl-N-butyl-2-(2-fluorophenyl)acetamide
CID 78805640
N-(3-chloropropyl)-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 55183334
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
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
N-(3-chloropropyl)-2-(3,4-dimethylphenyl)-N-propan-2-ylacetamide
CID 63390601
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276
4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide (CID 55183329) is N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide is CC(C)N(CCCCl)C(=O)Cc1ccccc1F.
What is the InChIKey of N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The InChIKey is KQBZMPGUODMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-11(2)17(9-5-8-15)14(18)10-12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide has a molecular weight of 271.76 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 55183329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).