N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide

C15H20ClNO2 — CID 118558614

IUPACN-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CCl)N(Cc1ccccc1)C1CCCCC1O
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
InChIKeyWYUJZXPWWXMFHK-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.56
Rot. Bonds4

About N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide

N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 118558614) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
PubChem CID118558614
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
SMILESO=C(CCl)N(Cc1ccccc1)C1CCCCC1O
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
InChIKeyWYUJZXPWWXMFHK-UHFFFAOYSA-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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Related Compounds

N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 118558613
N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
CID 11065293
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
tert-butyl (3S,4S)-4-[benzyl-(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate
CID 90236031
N-(1-acetylazepan-4-yl)-N-benzyl-2-chloroacetamide
CID 138506242
2-amino-N-benzyl-N-[(1R,2S)-2-benzylcyclohexyl]acetamide
CID 70031264
2-amino-N-benzyl-N-(2-benzylcyclohexyl)acetamide
CID 70031263
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
N-benzyl-2-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
CID 93478726
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide (CID 118558614) is N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide is O=C(CCl)N(Cc1ccccc1)C1CCCCC1O.
What is the InChIKey of N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is WYUJZXPWWXMFHK-UHFFFAOYSA-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.
What are the key properties of N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide?
N-benzyl-2-chloro-N-(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-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 118558614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).