2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

C23H27ClFN3O2 — CID 162533717

IUPAC2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1cccnc1)N(CCc1cccc(F)c1)C(=O)CCl
InChIInChI=1S/C23H27ClFN3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30)
InChIKeyDRYCFKYKZHXEAA-UHFFFAOYSA-N
MW431.94 g/mol
LogP4.02
Rot. Bonds8

About 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (PubChem CID 162533717) has the molecular formula C23H27ClFN3O2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
PubChem CID162533717
Molecular FormulaC23H27ClFN3O2
Molecular Weight431.94 g/mol
Exact Mass431.18
IUPAC Name2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1cccnc1)N(CCc1cccc(F)c1)C(=O)CCl
InChIInChI=1S/C23H27ClFN3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30)
InChIKeyDRYCFKYKZHXEAA-UHFFFAOYSA-N
XLogP4.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

C3A receptor agonist
CID 44430519
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
N-(3,3-Diphenyl-propyl)-2-pyridine-3-ylacetamide
CID 11976254
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23647130
(2R)-2-(N-(2,2-dichloroacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
CID 162396343
4-(3-(2-fluorobenzyl)ureido)-N,N-diisopropyl-3-phenyl-2-(pyridin-3-yl)butanamide
CID 16049867
(4R,5R)-5-amino-1-[2-(pyridin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204466
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)but-2-ynamide
CID 162396331
2-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)prop-2-enamide
CID 162396341
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
CID 162396332
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162396334
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 162396337

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (CID 162533717) is 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is O=C(NC1CCCCC1)C(c1cccnc1)N(CCc1cccc(F)c1)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The InChIKey is DRYCFKYKZHXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30).
What are the key properties of 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide has a molecular weight of 431.94 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-[2-(3-fluorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 162533717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).