3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide

C14H19ClN2O2 — CID 102631175

IUPAC3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(N)c1)C1CCCCC1O
InChIInChI=1S/C14H19ClN2O2/c1-17(12-4-2-3-5-13(12)18)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13,18H,2-5,16H2,1H3
InChIKeyBGSHYSQMHUNLRX-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.30
Rot. Bonds2

About 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide

3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide (PubChem CID 102631175) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
PubChem CID102631175
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(N)c1)C1CCCCC1O
InChIInChI=1S/C14H19ClN2O2/c1-17(12-4-2-3-5-13(12)18)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13,18H,2-5,16H2,1H3
InChIKeyBGSHYSQMHUNLRX-UHFFFAOYSA-N
XLogP2.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631172
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107036632
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide (CID 102631175) is 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide is CN(C(=O)c1ccc(Cl)c(N)c1)C1CCCCC1O.
What is the InChIKey of 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The InChIKey is BGSHYSQMHUNLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(12-4-2-3-5-13(12)18)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13,18H,2-5,16H2,1H3.
What are the key properties of 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide has a molecular weight of 282.77 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 102631175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).