2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide

C19H28ClN3O2 — CID 131915716

IUPAC2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)N(C)C2CCCCC2)cc1Cl
InChIInChI=1S/C19H28ClN3O2/c1-4-21-19(25)16-11-10-14(12-17(16)20)22-18(24)13(2)23(3)15-8-6-5-7-9-15/h10-13,15H,4-9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWXCLPOGVRRNSHH-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.68
Rot. Bonds6

About 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide

2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide (PubChem CID 131915716) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide
PubChem CID131915716
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(C)N(C)C2CCCCC2)cc1Cl
InChIInChI=1S/C19H28ClN3O2/c1-4-21-19(25)16-11-10-14(12-17(16)20)22-18(24)13(2)23(3)15-8-6-5-7-9-15/h10-13,15H,4-9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWXCLPOGVRRNSHH-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide
CID 119717907
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717906
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
N-[3-chloro-4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 131951604
4-[2-(azepan-1-yl)ethylcarbamoylamino]-2-chloro-N-ethylbenzamide
CID 118775045
N-(2-amino-4-chlorophenyl)-2-[cyclopentyl(methyl)amino]propanamide
CID 43266814
2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70805291
N-(2-chloro-4-nitrophenyl)-2-[cyclohexyl(methyl)amino]propanamide
CID 3400010
2-chloro-N-ethyl-4-[[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide
CID 72893414
4-[[4-(aminomethyl)benzoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119286321
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119298623
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119298613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide?
The IUPAC name of 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide (CID 131915716) is 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide.
What is the SMILES notation for 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide?
The canonical SMILES for 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)C(C)N(C)C2CCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide?
The InChIKey is WXCLPOGVRRNSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-4-21-19(25)16-11-10-14(12-17(16)20)22-18(24)13(2)23(3)15-8-6-5-7-9-15/h10-13,15H,4-9H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide?
2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide has a molecular weight of 365.91 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide is sourced from PubChem (CID 131915716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).