N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide

C15H21BrN2O2 — CID 163885708

IUPACN-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1CNC1CCC(O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)18-15-7-2-12(16)8-11(15)9-17-13-3-5-14(20)6-4-13/h2,7-8,13-14,17,20H,3-6,9H2,1H3,(H,18,19)
InChIKeyPXDDRZAPPUPPRQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.80
Rot. Bonds4

About N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide

N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide (PubChem CID 163885708) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide
PubChem CID163885708
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Br)cc1CNC1CCC(O)CC1
InChIInChI=1S/C15H21BrN2O2/c1-10(19)18-15-7-2-12(16)8-11(15)9-17-13-3-5-14(20)6-4-13/h2,7-8,13-14,17,20H,3-6,9H2,1H3,(H,18,19)
InChIKeyPXDDRZAPPUPPRQ-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide (CID 163885708) is N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Br)cc1CNC1CCC(O)CC1.
What is the InChIKey of N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide?
The InChIKey is PXDDRZAPPUPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(19)18-15-7-2-12(16)8-11(15)9-17-13-3-5-14(20)6-4-13/h2,7-8,13-14,17,20H,3-6,9H2,1H3,(H,18,19).
What are the key properties of N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide?
N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 163885708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).