2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide

C15H19ClN2O2 — CID 155671583

IUPAC2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
SMILESNCC(=O)NC[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H19ClN2O2/c16-12-6-2-1-5-11(12)15(10-18-14(20)9-17)8-4-3-7-13(15)19/h1-2,5-6H,3-4,7-10,17H2,(H,18,20)/t15-/m1/s1
InChIKeyKPSJCCHPAMROSA-OAHLLOKOSA-N
MW294.78 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide

2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide (PubChem CID 155671583) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
PubChem CID155671583
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
SMILESNCC(=O)NC[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H19ClN2O2/c16-12-6-2-1-5-11(12)15(10-18-14(20)9-17)8-4-3-7-13(15)19/h1-2,5-6H,3-4,7-10,17H2,(H,18,20)/t15-/m1/s1
InChIKeyKPSJCCHPAMROSA-OAHLLOKOSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloroamino)-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide
CID 155755176
[1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamic acid
CID 155683006
methyl N-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]carbamate
CID 142619997
[4-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylamino]-4-oxobutyl]azanium chloride
CID 155671578
[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxymethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 152729596
1-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxy]ethyl (2S)-2-acetamido-3-methylbutanoate
CID 152595035
1-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxy]ethyl 2-(propanoylamino)acetate
CID 151246928
1-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methylcarbamoyloxy]ethyl 2-(2-methylpropanoylamino)acetate
CID 151732696
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]acetamide
CID 91753398
2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
CID 25195026

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide (CID 155671583) is 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide is NCC(=O)NC[C@@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
The InChIKey is KPSJCCHPAMROSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-6-2-1-5-11(12)15(10-18-14(20)9-17)8-4-3-7-13(15)19/h1-2,5-6H,3-4,7-10,17H2,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide?
2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide has a molecular weight of 294.78 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]methyl]acetamide is sourced from PubChem (CID 155671583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).