2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide

C17H24BrNO — CID 831549

IUPAC2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1
InChIInChI=1S/C17H24BrNO/c1-12-8-15(11-17(2,3)10-12)19-16(20)9-13-4-6-14(18)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyNHSJKBWBXNSWLY-WFASDCNBSA-N
MW338.29 g/mol
LogP4.32
Rot. Bonds3

About 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide

2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 831549) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID831549
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1
InChIInChI=1S/C17H24BrNO/c1-12-8-15(11-17(2,3)10-12)19-16(20)9-13-4-6-14(18)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyNHSJKBWBXNSWLY-WFASDCNBSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
2-[4-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43724151
(1S)-2,2-dibromo-1-methyl-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 51405048
(1R)-2,2-dibromo-1-methyl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]cyclopropane-1-carboxamide
CID 27520887
N'-(3,3,5-trimethylcyclohexyl)butanediamide
CID 121317359
1-bromo-4-[(3,3,5-trimethylcyclohexyl)oxymethyl]benzene
CID 63458050
4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
CID 7028487
5-bromo-N-(3,3,5-trimethylcyclohexyl)thiophene-2-carboxamide
CID 4121013
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 16899810
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (CID 831549) is 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2)CC(C)(C)C1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is NHSJKBWBXNSWLY-WFASDCNBSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12-8-15(11-17(2,3)10-12)19-16(20)9-13-4-6-14(18)7-5-13/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)/t12-,15-/m0/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 338.29 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 831549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).