4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide

C18H25ClN2O2 — CID 112817108

IUPAC4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCC1CCC(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-3-13-4-10-16(11-5-13)21-17(22)12(2)20-18(23)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRPXXEOHPURFDPT-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 112817108) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID112817108
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCC1CCC(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-3-13-4-10-16(11-5-13)21-17(22)12(2)20-18(23)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRPXXEOHPURFDPT-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119389974
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 119229311
N-[1-[(2-amino-1-cyclohexylethyl)amino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119591807
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
2-[1-(4-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 115576766
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
4-chloro-N-[(2S)-1-(cyclopropylamino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide
CID 9210184
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide (CID 112817108) is 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide is CCC1CCC(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is RPXXEOHPURFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-3-13-4-10-16(11-5-13)21-17(22)12(2)20-18(23)14-6-8-15(19)9-7-14/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 336.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(4-ethylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 112817108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).