2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide

C16H22BrFN2O — CID 62575274

IUPAC2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide
SMILESO=C(CNCc1cc(F)ccc1Br)NC1CCCCCC1
InChIInChI=1S/C16H22BrFN2O/c17-15-8-7-13(18)9-12(15)10-19-11-16(21)20-14-5-3-1-2-4-6-14/h7-9,14,19H,1-6,10-11H2,(H,20,21)
InChIKeyCTWKCLUCPYPFSJ-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.52
Rot. Bonds5

About 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide

2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide (PubChem CID 62575274) has the molecular formula C16H22BrFN2O and a molecular weight of 357.27 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide
PubChem CID62575274
Molecular FormulaC16H22BrFN2O
Molecular Weight357.27 g/mol
Exact Mass356.09
IUPAC Name2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide
SMILESO=C(CNCc1cc(F)ccc1Br)NC1CCCCCC1
InChIInChI=1S/C16H22BrFN2O/c17-15-8-7-13(18)9-12(15)10-19-11-16(21)20-14-5-3-1-2-4-6-14/h7-9,14,19H,1-6,10-11H2,(H,20,21)
InChIKeyCTWKCLUCPYPFSJ-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyano-5-fluorophenyl)methylamino]-N-cyclopropylacetamide
CID 107903904
2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylidenebutan-1-amine
CID 66047118
2-[(2-bromo-5-fluorophenyl)methylamino]-N,N-dimethylacetamide
CID 43310970
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841
3-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 71967391
4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide
CID 79393798
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide (CID 62575274) is 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide is O=C(CNCc1cc(F)ccc1Br)NC1CCCCCC1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide?
The InChIKey is CTWKCLUCPYPFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2O/c17-15-8-7-13(18)9-12(15)10-19-11-16(21)20-14-5-3-1-2-4-6-14/h7-9,14,19H,1-6,10-11H2,(H,20,21).
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide?
2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide has a molecular weight of 357.27 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 62575274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).