3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

C13H17ClN2O2 — CID 94413683

IUPAC3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-9-6-5-8(7-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4,15H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyOFKYSRURROBSKS-VXGBXAGGSA-N
MW268.74 g/mol
LogP1.96
Rot. Bonds2

About 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 94413683) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID94413683
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESNc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-9-6-5-8(7-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4,15H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyOFKYSRURROBSKS-VXGBXAGGSA-N
XLogP1.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.96
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

3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
6-amino-3-chloro-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide
CID 62358573
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
3-[(3-amino-4-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042958

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 94413683) is 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is Nc1cc(C(=O)N[C@@H]2CCCC[C@H]2O)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is OFKYSRURROBSKS-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-9-6-5-8(7-10(9)15)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4,15H2,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 94413683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).