5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide

C12H19ClF3NO — CID 54875321

IUPAC5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C12H19ClF3NO/c1-9(10-5-6-10)17(8-12(14,15)16)11(18)4-2-3-7-13/h9-10H,2-8H2,1H3
InChIKeyJWDWGGMPABMQRO-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.58
Rot. Bonds7

About 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide

5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54875321) has the molecular formula C12H19ClF3NO and a molecular weight of 285.74 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54875321
Molecular FormulaC12H19ClF3NO
Molecular Weight285.74 g/mol
Exact Mass285.11
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CCCCCl
InChIInChI=1S/C12H19ClF3NO/c1-9(10-5-6-10)17(8-12(14,15)16)11(18)4-2-3-7-13/h9-10H,2-8H2,1H3
InChIKeyJWDWGGMPABMQRO-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-chloro-N-(trifluoromethyl)pentanamide
CID 44550871
[4-(2-Chloroethyl)piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 59581203
5-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875538
N-butyl-5-chloro-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875676
5-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 54875705
Propanamide, 3-chloro-N-(1-cyclopropylethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-
CID 55110482
4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 55204446
5-chloro-N-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60892915
3-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948883
2-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948884
5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60949291
5-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60950070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 54875321) is 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide is CC(C1CC1)N(CC(F)(F)F)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is JWDWGGMPABMQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF3NO/c1-9(10-5-6-10)17(8-12(14,15)16)11(18)4-2-3-7-13/h9-10H,2-8H2,1H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 285.74 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54875321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).