2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide

C10H20ClNO — CID 7004690

IUPAC2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)CCl
InChIInChI=1S/C10H20ClNO/c1-8(2)5-4-6-9(3)12-10(13)7-11/h8-9H,4-7H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyAHRHYMHJGCHFNB-SECBINFHSA-N
MW205.73 g/mol
LogP2.56
Rot. Bonds6

About 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide

2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide (PubChem CID 7004690) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide
PubChem CID7004690
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)CCl
InChIInChI=1S/C10H20ClNO/c1-8(2)5-4-6-9(3)12-10(13)7-11/h8-9H,4-7H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyAHRHYMHJGCHFNB-SECBINFHSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide (CID 7004690) is 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide is CC(C)CCC[C@@H](C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide?
The InChIKey is AHRHYMHJGCHFNB-SECBINFHSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-8(2)5-4-6-9(3)12-10(13)7-11/h8-9H,4-7H2,1-3H3,(H,12,13)/t9-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide?
2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide has a molecular weight of 205.73 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-6-methylheptan-2-yl]acetamide is sourced from PubChem (CID 7004690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).