N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide

C15H20ClNO2 — CID 118558613

IUPACN-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CCl)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H20ClNO2/c16-10-15(19)17(11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18/h1-3,6-7,13-14,18H,4-5,8-11H2/t13-,14+/m1/s1
InChIKeyWYUJZXPWWXMFHK-KGLIPLIRSA-N
MW281.78 g/mol
LogP2.56
Rot. Bonds4

About N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide

N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 118558613) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID118558613
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CCl)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C15H20ClNO2/c16-10-15(19)17(11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18/h1-3,6-7,13-14,18H,4-5,8-11H2/t13-,14+/m1/s1
InChIKeyWYUJZXPWWXMFHK-KGLIPLIRSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide (CID 118558613) is N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide is O=C(CCl)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is WYUJZXPWWXMFHK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-10-15(19)17(11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18/h1-3,6-7,13-14,18H,4-5,8-11H2/t13-,14+/m1/s1.
What are the key properties of N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide?
N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 281.78 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 118558613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).