1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide

C16H20BrFN2O2 — CID 55981867

IUPAC1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C16H20BrFN2O2/c1-11(21)20-16(7-3-2-4-8-16)15(22)19-10-12-9-13(18)5-6-14(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyJUSBFPXPZQNQFY-UHFFFAOYSA-N
MW371.25 g/mol
LogP3.04
Rot. Bonds4

About 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide

1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 55981867) has the molecular formula C16H20BrFN2O2 and a molecular weight of 371.25 g/mol. Its IUPAC name is 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID55981867
Molecular FormulaC16H20BrFN2O2
Molecular Weight371.25 g/mol
Exact Mass370.07
IUPAC Name1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C16H20BrFN2O2/c1-11(21)20-16(7-3-2-4-8-16)15(22)19-10-12-9-13(18)5-6-14(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyJUSBFPXPZQNQFY-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
1-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61016742
N-[(2-bromo-5-fluorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 55898827
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
2-[(2-bromo-5-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61016926
N-[2-(2-bromo-5-fluorophenyl)ethyl]acetamide
CID 66717796
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
6-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 47063585
N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267402

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide (CID 55981867) is 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)NCc2cc(F)ccc2Br)CCCCC1.
What is the InChIKey of 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is JUSBFPXPZQNQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O2/c1-11(21)20-16(7-3-2-4-8-16)15(22)19-10-12-9-13(18)5-6-14(12)17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide?
1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 371.25 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 1-acetamido-N-[(2-bromo-5-fluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55981867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).