N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide

C24H28ClF2N3O2 — CID 170581089

IUPACN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCC1.O=CNC(c1c(F)ccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C13H14ClF2NO.C11H14N2O/c14-9-5-6-10(15)11(12(9)16)13(17-7-18)8-3-1-2-4-8;14-11(13-10-4-1-5-10)7-9-3-2-6-12-8-9/h5-8,13H,1-4H2,(H,17,18);2-3,6,8,10H,1,4-5,7H2,(H,13,14)
InChIKeyQTQLTUJEZKIDQV-UHFFFAOYSA-N
MW463.96 g/mol
LogP4.89
Rot. Bonds7

About N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide

N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide (PubChem CID 170581089) has the molecular formula C24H28ClF2N3O2 and a molecular weight of 463.96 g/mol. Its IUPAC name is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide
PubChem CID170581089
Molecular FormulaC24H28ClF2N3O2
Molecular Weight463.96 g/mol
Exact Mass463.18
IUPAC NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NC1CCC1.O=CNC(c1c(F)ccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C13H14ClF2NO.C11H14N2O/c14-9-5-6-10(15)11(12(9)16)13(17-7-18)8-3-1-2-4-8;14-11(13-10-4-1-5-10)7-9-3-2-6-12-8-9/h5-8,13H,1-4H2,(H,17,18);2-3,6,8,10H,1,4-5,7H2,(H,13,14)
InChIKeyQTQLTUJEZKIDQV-UHFFFAOYSA-N
XLogP4.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.96
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-hydroxyethyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 116817232
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170578853
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile
CID 170580331
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
2-pyridin-3-yl-N-(4-pyridin-2-yloxycyclohexyl)acetamide
CID 91625997
1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
CID 103457420
N-(4-ethyl-4-methylcyclohexyl)-2-pyridin-3-ylacetamide
CID 130233519
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
CID 83278475

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide (CID 170581089) is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NC1CCC1.O=CNC(c1c(F)ccc(Cl)c1F)C1CCCC1.
What is the InChIKey of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide?
The InChIKey is QTQLTUJEZKIDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO.C11H14N2O/c14-9-5-6-10(15)11(12(9)16)13(17-7-18)8-3-1-2-4-8;14-11(13-10-4-1-5-10)7-9-3-2-6-12-8-9/h5-8,13H,1-4H2,(H,17,18);2-3,6,8,10H,1,4-5,7H2,(H,13,14).
What are the key properties of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide?
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide has a molecular weight of 463.96 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 170581089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).