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

C19H22Cl2F3NO — CID 170580433

IUPACN-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
SMILESO=C(NC(c1c(F)ccc(Cl)c1Cl)C1(C(F)F)CCCC1)C1CCCC1
InChIInChI=1S/C19H22Cl2F3NO/c20-12-7-8-13(22)14(15(12)21)16(19(18(23)24)9-3-4-10-19)25-17(26)11-5-1-2-6-11/h7-8,11,16,18H,1-6,9-10H2,(H,25,26)
InChIKeyAMQVBHVRSIZCDV-UHFFFAOYSA-N
MW408.29 g/mol
LogP6.31
Rot. Bonds5

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

N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide (PubChem CID 170580433) has the molecular formula C19H22Cl2F3NO and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
PubChem CID170580433
Molecular FormulaC19H22Cl2F3NO
Molecular Weight408.29 g/mol
Exact Mass407.10
IUPAC NameN-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
SMILESO=C(NC(c1c(F)ccc(Cl)c1Cl)C1(C(F)F)CCCC1)C1CCCC1
InChIInChI=1S/C19H22Cl2F3NO/c20-12-7-8-13(22)14(15(12)21)16(19(18(23)24)9-3-4-10-19)25-17(26)11-5-1-2-6-11/h7-8,11,16,18H,1-6,9-10H2,(H,25,26)
InChIKeyAMQVBHVRSIZCDV-UHFFFAOYSA-N
XLogP6.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 56.31
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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Related Compounds

N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide
CID 170581301
trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 170330440
N-[(1R,3R)-3-[[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]carbamoyl]cyclopentyl]oxetane-3-carboxamide
CID 170580644
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 170579105
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170578853
N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide
CID 170330311
3-acetamido-4-amino-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 170330453
trans-(1R,3R)-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-[(2-methoxyacetyl)amino]cyclopentane-1-carboxamide
CID 170581014
cis-(1S,3R)-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-[[(2R)-2-phenylpropanoyl]amino]cyclopentane-1-carboxamide
CID 170579368
CID 170580865
CID 170580865
(3R)-1-buta-1,3-dien-2-ylsulfanyl-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]pyrrolidine-3-carboxamide
CID 170580201
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile
CID 170580331

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide (CID 170580433) is N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide is O=C(NC(c1c(F)ccc(Cl)c1Cl)C1(C(F)F)CCCC1)C1CCCC1.
What is the InChIKey of N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
The InChIKey is AMQVBHVRSIZCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2F3NO/c20-12-7-8-13(22)14(15(12)21)16(19(18(23)24)9-3-4-10-19)25-17(26)11-5-1-2-6-11/h7-8,11,16,18H,1-6,9-10H2,(H,25,26).
What are the key properties of N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide?
N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide has a molecular weight of 408.29 g/mol, XLogP of 6.31, 5 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-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 170580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).