N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide

C17H23Cl2FN2O — CID 119716767

IUPACN-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H23Cl2FN2O/c1-10(12-4-3-7-21-9-12)8-15(23)22-11(2)16-13(18)5-6-14(20)17(16)19/h5-6,10-12,21H,3-4,7-9H2,1-2H3,(H,22,23)
InChIKeyABOOLPBYVQKICV-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.34
Rot. Bonds5

About N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide

N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119716767) has the molecular formula C17H23Cl2FN2O and a molecular weight of 361.29 g/mol. Its IUPAC name is N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119716767
Molecular FormulaC17H23Cl2FN2O
Molecular Weight361.29 g/mol
Exact Mass360.12
IUPAC NameN-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H23Cl2FN2O/c1-10(12-4-3-7-21-9-12)8-15(23)22-11(2)16-13(18)5-6-14(20)17(16)19/h5-6,10-12,21H,3-4,7-9H2,1-2H3,(H,22,23)
InChIKeyABOOLPBYVQKICV-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757975
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736178
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 103042622
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide (CID 119716767) is N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide is CC(NC(=O)CC(C)C1CCCNC1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is ABOOLPBYVQKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2FN2O/c1-10(12-4-3-7-21-9-12)8-15(23)22-11(2)16-13(18)5-6-14(20)17(16)19/h5-6,10-12,21H,3-4,7-9H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide?
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 361.29 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119716767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).