5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide

C18H21ClN2O3 — CID 166419632

IUPAC5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide
SMILESC#CC(=O)Nc1cc(OC)c(C(=O)NC2CCCCC2C)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-4-17(22)20-15-10-16(24-3)12(9-13(15)19)18(23)21-14-8-6-5-7-11(14)2/h1,9-11,14H,5-8H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyBCHLZFABNOYXPT-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide

5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide (PubChem CID 166419632) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide
PubChem CID166419632
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide
SMILESC#CC(=O)Nc1cc(OC)c(C(=O)NC2CCCCC2C)cc1Cl
InChIInChI=1S/C18H21ClN2O3/c1-4-17(22)20-15-10-16(24-3)12(9-13(15)19)18(23)21-14-8-6-5-7-11(14)2/h1,9-11,14H,5-8H2,2-3H3,(H,20,22)(H,21,23)
InChIKeyBCHLZFABNOYXPT-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide 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

N-[4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-chloro-5-methoxyphenyl]prop-2-ynamide
CID 166419554
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8787495
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43712361
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate
CID 42982196
methyl 3-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 18981833
5-chloro-4-(cyclobutylcarbamoylamino)-2-methoxybenzoic acid
CID 62416581
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide (CID 166419632) is 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide is C#CC(=O)Nc1cc(OC)c(C(=O)NC2CCCCC2C)cc1Cl.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide?
The InChIKey is BCHLZFABNOYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-4-17(22)20-15-10-16(24-3)12(9-13(15)19)18(23)21-14-8-6-5-7-11(14)2/h1,9-11,14H,5-8H2,2-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide?
5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide has a molecular weight of 348.83 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-methylcyclohexyl)-4-(prop-2-ynoylamino)benzamide is sourced from PubChem (CID 166419632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).