2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide

C12H15ClFNO — CID 39347931

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccccc1F)C(=O)CCl
InChIInChI=1S/C12H15ClFNO/c1-2-7-15(12(16)8-13)9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3
InChIKeyXAVPQLUAVDMNFN-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.80
Rot. Bonds5

About 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide

2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide (PubChem CID 39347931) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
PubChem CID39347931
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccccc1F)C(=O)CCl
InChIInChI=1S/C12H15ClFNO/c1-2-7-15(12(16)8-13)9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3
InChIKeyXAVPQLUAVDMNFN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150955
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
CID 42709412
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
CID 55005808
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
(2S,4S)-4-amino-N-[(2-fluorophenyl)methyl]-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 56712792
3-[[butyl-[(2-fluorophenyl)methyl]carbamoyl]amino]propanoic acid
CID 122019066
N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-ethyl-N-phenylacetamide
CID 113162234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide (CID 39347931) is 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide is CCCN(Cc1ccccc1F)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
The InChIKey is XAVPQLUAVDMNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-7-15(12(16)8-13)9-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide?
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide has a molecular weight of 243.71 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 39347931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).