N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide

C15H21BrN2O — CID 119404421

IUPACN-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
SMILESNC1(CNC(=O)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H21BrN2O/c16-13-6-4-5-12(9-13)10-14(19)18-11-15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,17H2,(H,18,19)
InChIKeyREKPDQSIBUDFLB-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.77
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide

N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide (PubChem CID 119404421) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
PubChem CID119404421
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
SMILESNC1(CNC(=O)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H21BrN2O/c16-13-6-4-5-12(9-13)10-14(19)18-11-15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,17H2,(H,18,19)
InChIKeyREKPDQSIBUDFLB-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267561
1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
CID 116591315
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112990956
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
CID 119404297
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
CID 119404679
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
CID 76931291
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide (CID 119404421) is N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide is NC1(CNC(=O)Cc2cccc(Br)c2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide?
The InChIKey is REKPDQSIBUDFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-13-6-4-5-12(9-13)10-14(19)18-11-15(17)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,17H2,(H,18,19).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide?
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 119404421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).