N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide

C14H19BrN2O — CID 104850911

IUPACN-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C14H19BrN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-4-2-12(16)3-5-13/h6-8,12-13H,2-5,16H2,1H3,(H,17,18)
InChIKeyGWDNABCBRUCXIQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.76
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide

N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide (PubChem CID 104850911) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
PubChem CID104850911
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C14H19BrN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-4-2-12(16)3-5-13/h6-8,12-13H,2-5,16H2,1H3,(H,17,18)
InChIKeyGWDNABCBRUCXIQ-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
3-bromo-N-(1,1-dioxothian-3-yl)-5-methylbenzamide
CID 104852729
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
CID 99636900
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide (CID 104850911) is N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide?
The InChIKey is GWDNABCBRUCXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-4-2-12(16)3-5-13/h6-8,12-13H,2-5,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide?
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide has a molecular weight of 311.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide is sourced from PubChem (CID 104850911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).