4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride

C20H31Cl2N3O2 — CID 119717906

IUPAC4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C20H30ClN3O2.ClH/c1-13(2)11-18(22)19(25)23-14-9-10-16(17(21)12-14)20(26)24(3)15-7-5-4-6-8-15;/h9-10,12-13,15,18H,4-8,11,22H2,1-3H3,(H,23,25);1H/t18-;/m0./s1
InChIKeyLSZQRDCWKQAATG-FERBBOLQSA-N
MW416.39 g/mol
LogP4.48
Rot. Bonds6

About 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride

4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride (PubChem CID 119717906) has the molecular formula C20H31Cl2N3O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
PubChem CID119717906
Molecular FormulaC20H31Cl2N3O2
Molecular Weight416.39 g/mol
Exact Mass415.18
IUPAC Name4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C20H30ClN3O2.ClH/c1-13(2)11-18(22)19(25)23-14-9-10-16(17(21)12-14)20(26)24(3)15-7-5-4-6-8-15;/h9-10,12-13,15,18H,4-8,11,22H2,1-3H3,(H,23,25);1H/t18-;/m0./s1
InChIKeyLSZQRDCWKQAATG-FERBBOLQSA-N
XLogP4.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride with MolForge

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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]-N-cyclohexyl-N-methylbenzamide
CID 119743435
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119717876
4-[[4-(aminomethyl)benzoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride
CID 119286321
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-methylbenzamide
CID 119742691
(2S,4S)-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621694
2-amino-N-[3-chloro-4-(dimethylamino)phenyl]-4-methylpentanamide
CID 54862641
2-chloro-N-cyclohexyl-N-methyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119717898
N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119286306
2-chloro-4-[2-[cyclohexyl(methyl)amino]propanoylamino]-N-ethylbenzamide
CID 131915716
N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119814666

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride (CID 119717906) is 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1.Cl.
What is the InChIKey of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride?
The InChIKey is LSZQRDCWKQAATG-FERBBOLQSA-N. The full InChI is InChI=1S/C20H30ClN3O2.ClH/c1-13(2)11-18(22)19(25)23-14-9-10-16(17(21)12-14)20(26)24(3)15-7-5-4-6-8-15;/h9-10,12-13,15,18H,4-8,11,22H2,1-3H3,(H,23,25);1H/t18-;/m0./s1.
What are the key properties of 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride?
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride has a molecular weight of 416.39 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-chloro-N-cyclohexyl-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119717906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).