N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide

C14H19ClN2O2 — CID 95775930

IUPACN-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide
SMILESCCCCCC(=O)N[C@@H](C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-2-3-4-5-12(18)17-13(14(16)19)10-6-8-11(15)9-7-10/h6-9,13H,2-5H2,1H3,(H2,16,19)(H,17,18)/t13-/m1/s1
InChIKeyXFCQWQOQGBSFNJ-CYBMUJFWSA-N
MW282.77 g/mol
LogP2.56
Rot. Bonds7

About N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide

N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide (PubChem CID 95775930) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide
PubChem CID95775930
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide
SMILESCCCCCC(=O)N[C@@H](C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-2-3-4-5-12(18)17-13(14(16)19)10-6-8-11(15)9-7-10/h6-9,13H,2-5H2,1H3,(H2,16,19)(H,17,18)/t13-/m1/s1
InChIKeyXFCQWQOQGBSFNJ-CYBMUJFWSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
N-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 166331796
N-(4-chlorophenyl)tridecanamide
CID 4195215
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]pentadecanamide
CID 3465119
2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
N-[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)sulfonylethyl]octadecanamide
CID 98129817
4-[[[(2S)-2-(hexanoylamino)-2-(4-hydroxyphenyl)acetyl]amino]methyl]benzamide
CID 164626332

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide?
The IUPAC name of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide (CID 95775930) is N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide?
The canonical SMILES for N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide is CCCCCC(=O)N[C@@H](C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide?
The InChIKey is XFCQWQOQGBSFNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-3-4-5-12(18)17-13(14(16)19)10-6-8-11(15)9-7-10/h6-9,13H,2-5H2,1H3,(H2,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide?
N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide has a molecular weight of 282.77 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide is sourced from PubChem (CID 95775930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).