4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide

C16H23ClN2O3 — CID 119731737

IUPAC4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(O)C1CCCCC1
InChIInChI=1S/C16H23ClN2O3/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-14(20)10-5-3-2-4-6-10/h7-8,10,14,20H,2-6,9,18H2,1H3,(H,19,21)
InChIKeyVCVNAQLJAOQUDP-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.60
Rot. Bonds5

About 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide

4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide (PubChem CID 119731737) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
PubChem CID119731737
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(O)C1CCCCC1
InChIInChI=1S/C16H23ClN2O3/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-14(20)10-5-3-2-4-6-10/h7-8,10,14,20H,2-6,9,18H2,1H3,(H,19,21)
InChIKeyVCVNAQLJAOQUDP-UHFFFAOYSA-N
XLogP2.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzamide
CID 63298974
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)benzamide
CID 119944694

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide (CID 119731737) is 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCC(O)C1CCCCC1.
What is the InChIKey of 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide?
The InChIKey is VCVNAQLJAOQUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-14(20)10-5-3-2-4-6-10/h7-8,10,14,20H,2-6,9,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide?
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide has a molecular weight of 326.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 119731737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).