2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide

C16H23BrN2O — CID 81359177

IUPAC2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
SMILESC[C@H](NCC(=O)NC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-12(13-7-9-14(17)10-8-13)18-11-16(20)19-15-5-3-2-4-6-15/h7-10,12,15,18H,2-6,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyXHVSZFQHUSPHOH-LBPRGKRZSA-N
MW339.28 g/mol
LogP3.55
Rot. Bonds5

About 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide (PubChem CID 81359177) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
PubChem CID81359177
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
SMILESC[C@H](NCC(=O)NC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-12(13-7-9-14(17)10-8-13)18-11-16(20)19-15-5-3-2-4-6-15/h7-10,12,15,18H,2-6,11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyXHVSZFQHUSPHOH-LBPRGKRZSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-[1-(4-tert-butylphenyl)ethylamino]-N-cyclopropylacetamide
CID 43568343
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
N-cyclopentyl-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 97334723

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide (CID 81359177) is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide is C[C@H](NCC(=O)NC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide?
The InChIKey is XHVSZFQHUSPHOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(13-7-9-14(17)10-8-13)18-11-16(20)19-15-5-3-2-4-6-15/h7-10,12,15,18H,2-6,11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide?
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide has a molecular weight of 339.28 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 81359177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).