N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide

C18H26ClN3O2 — CID 119591807

IUPACN-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H26ClN3O2/c1-12(21-18(24)14-7-9-15(19)10-8-14)17(23)22-16(11-20)13-5-3-2-4-6-13/h7-10,12-13,16H,2-6,11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyMRTXODMIFJSMBD-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.48
Rot. Bonds6

About N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide

N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide (PubChem CID 119591807) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
PubChem CID119591807
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C18H26ClN3O2/c1-12(21-18(24)14-7-9-15(19)10-8-14)17(23)22-16(11-20)13-5-3-2-4-6-13/h7-10,12-13,16H,2-6,11,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyMRTXODMIFJSMBD-UHFFFAOYSA-N
XLogP2.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide with MolForge

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119591138
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-[1-[(1-cyclopentyl-2-phenylethyl)amino]-1-oxopropan-2-yl]benzamide
CID 86945414
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 112817108
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119589185
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide (CID 119591807) is N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide?
The InChIKey is MRTXODMIFJSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-12(21-18(24)14-7-9-15(19)10-8-14)17(23)22-16(11-20)13-5-3-2-4-6-13/h7-10,12-13,16H,2-6,11,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide?
N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide has a molecular weight of 351.88 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 119591807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).