2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide

C16H21ClN2O2 — CID 92660383

IUPAC2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
SMILESC[C@H](Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-11(17)15(20)19-14-10-6-5-9-13(14)16(21)18-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyJBZDPXGJXZIDAF-NSHDSACASA-N
MW308.81 g/mol
LogP3.31
Rot. Bonds4

About 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide

2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide (PubChem CID 92660383) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
PubChem CID92660383
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
SMILESC[C@H](Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-11(17)15(20)19-14-10-6-5-9-13(14)16(21)18-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyJBZDPXGJXZIDAF-NSHDSACASA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
CID 7276350
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
CID 132763349
N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 17421584
2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 4961027
N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9180227
2-(acetylcarbamothioylamino)-N-cyclohexylbenzamide
CID 1226733
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
CID 24692164

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide (CID 92660383) is 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide is C[C@H](Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide?
The InChIKey is JBZDPXGJXZIDAF-NSHDSACASA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(17)15(20)19-14-10-6-5-9-13(14)16(21)18-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide?
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide has a molecular weight of 308.81 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 92660383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).