5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide

C15H20Cl2N2O — CID 107184871

IUPAC5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCCC1CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-9-4-2-3-5-10(9)8-19-15(20)12-6-11(18)7-13(16)14(12)17/h6-7,9-10H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyQFAFSWPRBKOWPS-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.13
Rot. Bonds3

About 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide

5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide (PubChem CID 107184871) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide
PubChem CID107184871
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCCC1CNC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-9-4-2-3-5-10(9)8-19-15(20)12-6-11(18)7-13(16)14(12)17/h6-7,9-10H,2-5,8,18H2,1H3,(H,19,20)
InChIKeyQFAFSWPRBKOWPS-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 112575789
5-amino-2,3-dichloro-N-(oxan-2-ylmethyl)benzamide
CID 107184869
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
4-chloro-6-methyl-N-[(2-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 81227209
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
CID 63500607
3-amino-5-methoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416341
2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
CID 107417795
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide
CID 107420177

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide (CID 107184871) is 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide is CC1CCCCC1CNC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide?
The InChIKey is QFAFSWPRBKOWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-9-4-2-3-5-10(9)8-19-15(20)12-6-11(18)7-13(16)14(12)17/h6-7,9-10H,2-5,8,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide?
5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide has a molecular weight of 315.24 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 107184871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).