acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide

C20H27ClF2N2O2 — CID 170580687

IUPACacetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
SMILESCC(N)=O.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H22ClF2NO.C2H5NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2(3)4/h9-12,17H,1-8H2,(H,22,23);1H3,(H2,3,4)
InChIKeyBGSKSXMCGHKFEA-UHFFFAOYSA-N
MW400.90 g/mol
LogP4.65
Rot. Bonds4

About acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide

acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide (PubChem CID 170580687) has the molecular formula C20H27ClF2N2O2 and a molecular weight of 400.90 g/mol. Its IUPAC name is acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide.

Molecular Properties

Compound Nameacetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
PubChem CID170580687
Molecular FormulaC20H27ClF2N2O2
Molecular Weight400.90 g/mol
Exact Mass400.17
IUPAC Nameacetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
SMILESCC(N)=O.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H22ClF2NO.C2H5NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2(3)4/h9-12,17H,1-8H2,(H,22,23);1H3,(H2,3,4)
InChIKeyBGSKSXMCGHKFEA-UHFFFAOYSA-N
XLogP4.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.90
LogP ≤ 54.65
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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Frequently Asked Questions

What is the IUPAC name of acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
The IUPAC name of acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide (CID 170580687) is acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide.
What is the SMILES notation for acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
The canonical SMILES for acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide is CC(N)=O.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1.
What is the InChIKey of acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
The InChIKey is BGSKSXMCGHKFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF2NO.C2H5NO/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2(3)4/h9-12,17H,1-8H2,(H,22,23);1H3,(H2,3,4).
What are the key properties of acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide?
acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide has a molecular weight of 400.90 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide is sourced from PubChem (CID 170580687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).