2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide

C9H16Cl2N2O2 — CID 87981003

IUPAC2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
SMILESCC(CC(C)NC(=O)CCl)NC(=O)CCl
InChIInChI=1S/C9H16Cl2N2O2/c1-6(12-8(14)4-10)3-7(2)13-9(15)5-11/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyNKSSCHBHGYPUCY-UHFFFAOYSA-N
MW255.14 g/mol
LogP0.86
Rot. Bonds6

About 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide

2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide (PubChem CID 87981003) has the molecular formula C9H16Cl2N2O2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
PubChem CID87981003
Molecular FormulaC9H16Cl2N2O2
Molecular Weight255.14 g/mol
Exact Mass254.06
IUPAC Name2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
SMILESCC(CC(C)NC(=O)CCl)NC(=O)CCl
InChIInChI=1S/C9H16Cl2N2O2/c1-6(12-8(14)4-10)3-7(2)13-9(15)5-11/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyNKSSCHBHGYPUCY-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 50.86
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

2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
2-chloro-N-(4-methylpentan-2-ylcarbamoyl)acetamide
CID 43372510
2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115879988
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
2-chloro-N-[1-[1-[(2-chloroacetyl)amino]ethoxy]ethyl]acetamide
CID 88772839
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
methyl (2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoate
CID 14260838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide (CID 87981003) is 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide is CC(CC(C)NC(=O)CCl)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide?
The InChIKey is NKSSCHBHGYPUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2N2O2/c1-6(12-8(14)4-10)3-7(2)13-9(15)5-11/h6-7H,3-5H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide?
2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide has a molecular weight of 255.14 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide is sourced from PubChem (CID 87981003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).