N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide

C13H17ClFNO — CID 63390556

IUPACN-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1ccccc1F
InChIInChI=1S/C13H17ClFNO/c1-10(2)16(9-5-8-14)13(17)11-6-3-4-7-12(11)15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyADZYWZIWFBZHDG-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.31
Rot. Bonds5

About N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide

N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 63390556) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
PubChem CID63390556
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1ccccc1F
InChIInChI=1S/C13H17ClFNO/c1-10(2)16(9-5-8-14)13(17)11-6-3-4-7-12(11)15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyADZYWZIWFBZHDG-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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

2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide
CID 55185541
N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
CID 107016692
N-(2-chloroethyl)-2-methylsulfanyl-N-propan-2-ylbenzamide
CID 79206105
N-(3-chloropropyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 63390906
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide (CID 63390556) is N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide is CC(C)N(CCCCl)C(=O)c1ccccc1F.
What is the InChIKey of N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is ADZYWZIWFBZHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-10(2)16(9-5-8-14)13(17)11-6-3-4-7-12(11)15/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide?
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 257.74 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 63390556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).