N-(2-chloroethyl)-3-fluoro-N-propylbenzamide

C12H15ClFNO — CID 63392950

IUPACN-(2-chloroethyl)-3-fluoro-N-propylbenzamide
SMILESCCCN(CCCl)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H15ClFNO/c1-2-7-15(8-6-13)12(16)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3
InChIKeyBBSSRXRLSQBICW-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.92
Rot. Bonds5

About N-(2-chloroethyl)-3-fluoro-N-propylbenzamide

N-(2-chloroethyl)-3-fluoro-N-propylbenzamide (PubChem CID 63392950) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-fluoro-N-propylbenzamide
PubChem CID63392950
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-(2-chloroethyl)-3-fluoro-N-propylbenzamide
SMILESCCCN(CCCl)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H15ClFNO/c1-2-7-15(8-6-13)12(16)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3
InChIKeyBBSSRXRLSQBICW-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-3-fluoro-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
CID 107491097
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
3-chloro-N,N-dipropylbenzamide
CID 669182
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
CID 83281960
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
N-(3-amino-3-sulfanylidenepropyl)-3-fluoro-N-pentylbenzamide
CID 82103769
N-butyl-N-(2-chloroethyl)benzamide
CID 63390876
3-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylbenzamide
CID 813670
N-butyl-N-(2-chloroethyl)-3-methylsulfonylbenzamide
CID 63391720

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-fluoro-N-propylbenzamide?
The IUPAC name of N-(2-chloroethyl)-3-fluoro-N-propylbenzamide (CID 63392950) is N-(2-chloroethyl)-3-fluoro-N-propylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-3-fluoro-N-propylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-3-fluoro-N-propylbenzamide is CCCN(CCCl)C(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-chloroethyl)-3-fluoro-N-propylbenzamide?
The InChIKey is BBSSRXRLSQBICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-7-15(8-6-13)12(16)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-3-fluoro-N-propylbenzamide?
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide has a molecular weight of 243.71 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-fluoro-N-propylbenzamide is sourced from PubChem (CID 63392950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).