5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide

C16H23ClN2O2 — CID 62174801

IUPAC5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-18-15-8-7-12(17)11-14(15)16(21)19(9-10-20)13-5-3-2-4-6-13/h7-8,11,13,18,20H,2-6,9-10H2,1H3
InChIKeyJBHPBGVHIAROLK-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.15
Rot. Bonds5

About 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide

5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide (PubChem CID 62174801) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
PubChem CID62174801
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-18-15-8-7-12(17)11-14(15)16(21)19(9-10-20)13-5-3-2-4-6-13/h7-8,11,13,18,20H,2-6,9-10H2,1H3
InChIKeyJBHPBGVHIAROLK-UHFFFAOYSA-N
XLogP3.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-2-(methylamino)benzamide
CID 64522049
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
5-chloro-N-cyclohexyl-N-ethyl-2-hydrazinylbenzamide
CID 62248307
5-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 63316487
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
CID 106509715
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62173918
2-chloro-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 106501618
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide (CID 62174801) is 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
The InChIKey is JBHPBGVHIAROLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-18-15-8-7-12(17)11-14(15)16(21)19(9-10-20)13-5-3-2-4-6-13/h7-8,11,13,18,20H,2-6,9-10H2,1H3.
What are the key properties of 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide?
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide has a molecular weight of 310.82 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide is sourced from PubChem (CID 62174801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).