2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide

C14H19BrN2O2 — CID 106137131

IUPAC2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H19BrN2O2/c15-10-3-6-13(16)12(7-10)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8,16H2,(H,17,19)
InChIKeyWVCNSPVYQOQJEB-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide

2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide (PubChem CID 106137131) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
PubChem CID106137131
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C14H19BrN2O2/c15-10-3-6-13(16)12(7-10)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8,16H2,(H,17,19)
InChIKeyWVCNSPVYQOQJEB-UHFFFAOYSA-N
XLogP2.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-amino-5-bromobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470552
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106119006
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide (CID 106137131) is 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide is Nc1ccc(Br)cc1C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is WVCNSPVYQOQJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-10-3-6-13(16)12(7-10)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8,16H2,(H,17,19).
What are the key properties of 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide?
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 106137131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).