2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide

C10H18ClNO2 — CID 64929109

IUPAC2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1CCCCC1O
InChIInChI=1S/C10H18ClNO2/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyBZDXGQJDCKLHQF-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.28
Rot. Bonds3

About 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide

2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64929109) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
PubChem CID64929109
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1CCCCC1O
InChIInChI=1S/C10H18ClNO2/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyBZDXGQJDCKLHQF-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.28
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

(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107031039
3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
CID 120501252
(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 79025652
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
N-[2-(2-hydroxycyclohexyl)ethyl]-2-methylpropanamide
CID 165463094
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
(2S)-N-cyclopentyl-2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]propanamide
CID 97046649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide (CID 64929109) is 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide is CC(Cl)C(=O)NCC1CCCCC1O.
What is the InChIKey of 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is BZDXGQJDCKLHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-7(11)10(14)12-6-8-4-2-3-5-9(8)13/h7-9,13H,2-6H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide?
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 219.71 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64929109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).