N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide

C14H19BrN2O — CID 93452631

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c15-11-7-5-10(6-8-11)9-14(18)17-13-4-2-1-3-12(13)16/h5-8,12-13H,1-4,9,16H2,(H,17,18)/t12-,13-/m1/s1
InChIKeyZWJTYUWPJLSOLO-CHWSQXEVSA-N
MW311.22 g/mol
LogP2.38
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide

N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide (PubChem CID 93452631) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
PubChem CID93452631
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c15-11-7-5-10(6-8-11)9-14(18)17-13-4-2-1-3-12(13)16/h5-8,12-13H,1-4,9,16H2,(H,17,18)/t12-,13-/m1/s1
InChIKeyZWJTYUWPJLSOLO-CHWSQXEVSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 94414749
N-(2-aminocyclopentyl)-2-(4-hydroxyphenyl)acetamide
CID 63251734
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
2-N-[2-(4-bromophenyl)ethyl]cyclohexane-1,2-diamine
CID 115118064
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
CID 93452521
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide (CID 93452631) is N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide is N[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide?
The InChIKey is ZWJTYUWPJLSOLO-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-7-5-10(6-8-11)9-14(18)17-13-4-2-1-3-12(13)16/h5-8,12-13H,1-4,9,16H2,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide has a molecular weight of 311.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 93452631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).