N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide

C13H16BrClN2O — CID 81295465

IUPACN-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
SMILESNC1CCCCC1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)
InChIKeyRURRNHBKNCNABX-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.10
Rot. Bonds2

About N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide

N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide (PubChem CID 81295465) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
PubChem CID81295465
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide
SMILESNC1CCCCC1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18)
InChIKeyRURRNHBKNCNABX-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63251551
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
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4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocyclohexyl)quinoxaline-6-carboxamide
CID 62875728
N-(2-aminocycloheptyl)-4-hydroxy-3-methylbenzamide
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CID 61038354

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide (CID 81295465) is N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide is NC1CCCCC1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide?
The InChIKey is RURRNHBKNCNABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18).
What are the key properties of N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide?
N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide has a molecular weight of 331.64 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81295465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).