2-chloro-N-[(2R)-octan-2-yl]acetamide

C10H20ClNO — CID 7131842

IUPAC2-chloro-N-[(2R)-octan-2-yl]acetamide
SMILESCCCCCC[C@@H](C)NC(=O)CCl
InChIInChI=1S/C10H20ClNO/c1-3-4-5-6-7-9(2)12-10(13)8-11/h9H,3-8H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyQEPZCHRQMLMYTA-SECBINFHSA-N
MW205.73 g/mol
LogP2.70
Rot. Bonds7

About 2-chloro-N-[(2R)-octan-2-yl]acetamide

2-chloro-N-[(2R)-octan-2-yl]acetamide (PubChem CID 7131842) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-octan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-octan-2-yl]acetamide
PubChem CID7131842
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-N-[(2R)-octan-2-yl]acetamide
SMILESCCCCCC[C@@H](C)NC(=O)CCl
InChIInChI=1S/C10H20ClNO/c1-3-4-5-6-7-9(2)12-10(13)8-11/h9H,3-8H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyQEPZCHRQMLMYTA-SECBINFHSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dodecan-2-ylpropanamide
CID 174988669
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid
CID 10541619
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
4-acetamido-N-octan-2-ylbutanamide
CID 90319898
N-pentan-2-ylundecanamide
CID 173258559
3-amino-N-heptan-2-ylbutanamide
CID 60836862
3-amino-3-methyl-N-octan-2-ylbutanamide
CID 64684049
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-octan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-octan-2-yl]acetamide (CID 7131842) is 2-chloro-N-[(2R)-octan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-octan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-octan-2-yl]acetamide is CCCCCC[C@@H](C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2R)-octan-2-yl]acetamide?
The InChIKey is QEPZCHRQMLMYTA-SECBINFHSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-4-5-6-7-9(2)12-10(13)8-11/h9H,3-8H2,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-octan-2-yl]acetamide?
2-chloro-N-[(2R)-octan-2-yl]acetamide has a molecular weight of 205.73 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-octan-2-yl]acetamide is sourced from PubChem (CID 7131842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).