N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide

C19H24Cl2FNO — CID 170578532

IUPACN-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide
SMILESCC1(C(NC(=O)C2CCCC2)c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C19H24Cl2FNO/c1-19(10-4-5-11-19)17(23-18(24)12-6-2-3-7-12)15-14(22)9-8-13(20)16(15)21/h8-9,12,17H,2-7,10-11H2,1H3,(H,23,24)
InChIKeyHOBJNGFOXKIYMU-UHFFFAOYSA-N
MW372.31 g/mol
LogP6.06
Rot. Bonds4

About N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide

N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide (PubChem CID 170578532) has the molecular formula C19H24Cl2FNO and a molecular weight of 372.31 g/mol. Its IUPAC name is N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide
PubChem CID170578532
Molecular FormulaC19H24Cl2FNO
Molecular Weight372.31 g/mol
Exact Mass371.12
IUPAC NameN-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide
SMILESCC1(C(NC(=O)C2CCCC2)c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C19H24Cl2FNO/c1-19(10-4-5-11-19)17(23-18(24)12-6-2-3-7-12)15-14(22)9-8-13(20)16(15)21/h8-9,12,17H,2-7,10-11H2,1H3,(H,23,24)
InChIKeyHOBJNGFOXKIYMU-UHFFFAOYSA-N
XLogP6.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.31
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide (CID 170578532) is N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide is CC1(C(NC(=O)C2CCCC2)c2c(F)ccc(Cl)c2Cl)CCCC1.
What is the InChIKey of N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide?
The InChIKey is HOBJNGFOXKIYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2FNO/c1-19(10-4-5-11-19)17(23-18(24)12-6-2-3-7-12)15-14(22)9-8-13(20)16(15)21/h8-9,12,17H,2-7,10-11H2,1H3,(H,23,24).
What are the key properties of N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide?
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide has a molecular weight of 372.31 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 170578532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).