N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide

C13H15BrF2N2O — CID 102853789

IUPACN-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H15BrF2N2O/c14-9-5-12(11(16)6-10(9)15)18-13(19)7-17-8-3-1-2-4-8/h5-6,8,17H,1-4,7H2,(H,18,19)
InChIKeyAFMIAABAJXHYJQ-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.20
Rot. Bonds4

About N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide

N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide (PubChem CID 102853789) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
PubChem CID102853789
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C13H15BrF2N2O/c14-9-5-12(11(16)6-10(9)15)18-13(19)7-17-8-3-1-2-4-8/h5-6,8,17H,1-4,7H2,(H,18,19)
InChIKeyAFMIAABAJXHYJQ-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.20
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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Related Compounds

2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706
N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 107611744
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
2-(cyclopentylamino)-N-(3,5-difluorophenyl)acetamide
CID 60703396
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide (CID 102853789) is N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide is O=C(CNC1CCCC1)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide?
The InChIKey is AFMIAABAJXHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c14-9-5-12(11(16)6-10(9)15)18-13(19)7-17-8-3-1-2-4-8/h5-6,8,17H,1-4,7H2,(H,18,19).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide?
N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide has a molecular weight of 333.18 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide is sourced from PubChem (CID 102853789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).