4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide

C10H18ClNO2 — CID 107216783

IUPAC4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
SMILESO=C(CCCCl)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H18ClNO2/c11-7-3-6-10(14)12-8-4-1-2-5-9(8)13/h8-9,13H,1-7H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyHSSYPPODRHCVAA-RKDXNWHRSA-N
MW219.71 g/mol
LogP1.43
Rot. Bonds4

About 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide

4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide (PubChem CID 107216783) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
PubChem CID107216783
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
SMILESO=C(CCCCl)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H18ClNO2/c11-7-3-6-10(14)12-8-4-1-2-5-9(8)13/h8-9,13H,1-7H2,(H,12,14)/t8-,9-/m1/s1
InChIKeyHSSYPPODRHCVAA-RKDXNWHRSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.43
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

N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
CID 10900833
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]pentanamide
CID 106359880
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107222070
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
4-chloro-N-cyclopropylbutanamide
CID 5152347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
The IUPAC name of 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide (CID 107216783) is 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
The canonical SMILES for 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide is O=C(CCCCl)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
The InChIKey is HSSYPPODRHCVAA-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18ClNO2/c11-7-3-6-10(14)12-8-4-1-2-5-9(8)13/h8-9,13H,1-7H2,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide?
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide has a molecular weight of 219.71 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide is sourced from PubChem (CID 107216783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).