2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide

C14H18BrFN2O — CID 54894057

IUPAC2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
SMILESNC(=O)C(NC1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O/c15-9-6-7-11(12(16)8-9)13(14(17)19)18-10-4-2-1-3-5-10/h6-8,10,13,18H,1-5H2,(H2,17,19)
InChIKeyHIGINXSSONQCNU-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide

2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide (PubChem CID 54894057) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
PubChem CID54894057
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
SMILESNC(=O)C(NC1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O/c15-9-6-7-11(12(16)8-9)13(14(17)19)18-10-4-2-1-3-5-10/h6-8,10,13,18H,1-5H2,(H2,17,19)
InChIKeyHIGINXSSONQCNU-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 54894373
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetamide
CID 54894291
2-(cyclopropylamino)-2-(2,4-difluorophenyl)acetamide
CID 60796444
2-(cyclopentylamino)-2-(2-fluorophenyl)acetamide
CID 54894042
2-(5-bromo-2-methoxyphenyl)-2-(cyclopentylamino)acetamide
CID 54894280
2-(cyclohexylamino)-2-(2,4-dichlorophenyl)acetamide
CID 54894576
2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 71990927
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetic acid
CID 54892642
2-(cyclopropylamino)-2-(2,5-difluorophenyl)acetamide
CID 60796305
ethyl 2-(5-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetate
CID 60998047
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
CID 54894227

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide (CID 54894057) is 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide is NC(=O)C(NC1CCCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide?
The InChIKey is HIGINXSSONQCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c15-9-6-7-11(12(16)8-9)13(14(17)19)18-10-4-2-1-3-5-10/h6-8,10,13,18H,1-5H2,(H2,17,19).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide?
2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide has a molecular weight of 329.21 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide is sourced from PubChem (CID 54894057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).