N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide

C14H19ClFNO — CID 55185541

IUPACN-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCCl)C(=O)c1ccccc1F
InChIInChI=1S/C14H19ClFNO/c1-3-11(4-2)17(10-9-15)14(18)12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyIROJYIIAXGVXGL-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.70
Rot. Bonds6

About N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide

N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide (PubChem CID 55185541) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide
PubChem CID55185541
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCCl)C(=O)c1ccccc1F
InChIInChI=1S/C14H19ClFNO/c1-3-11(4-2)17(10-9-15)14(18)12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyIROJYIIAXGVXGL-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
2,4-dibromo-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 114018643
N-(2-chloroethyl)-4-oxo-N-pentan-3-yl-1H-pyridine-3-carboxamide
CID 114039291
N-(2-chloroethyl)-2-methylsulfanyl-N-propan-2-ylbenzamide
CID 79206105
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
CID 63396036
3-bromo-N-(2-chloroethyl)-5-fluoro-N-pentan-3-ylbenzamide
CID 55188004
N-(2-chloroethyl)-6-methyl-N-pentan-3-ylpyridine-3-carboxamide
CID 63395731
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide?
The IUPAC name of N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide (CID 55185541) is N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide is CCC(CC)N(CCCl)C(=O)c1ccccc1F.
What is the InChIKey of N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide?
The InChIKey is IROJYIIAXGVXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-3-11(4-2)17(10-9-15)14(18)12-7-5-6-8-13(12)16/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide?
N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide has a molecular weight of 271.76 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide is sourced from PubChem (CID 55185541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).