1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride

C13H25Cl2NO2 — CID 175329155

IUPAC1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride
SMILESCCCCC(=O)N(C)CC(=O)Cl.CCCCCCl
InChIInChI=1S/C8H14ClNO2.C5H11Cl/c1-3-4-5-8(12)10(2)6-7(9)11;1-2-3-4-5-6/h3-6H2,1-2H3;2-5H2,1H3
InChIKeyLQMJZZYZLCNGCY-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.82
Rot. Bonds8

About 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride

1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride (PubChem CID 175329155) has the molecular formula C13H25Cl2NO2 and a molecular weight of 298.25 g/mol. Its IUPAC name is 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride.

Molecular Properties

Compound Name1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride
PubChem CID175329155
Molecular FormulaC13H25Cl2NO2
Molecular Weight298.25 g/mol
Exact Mass297.13
IUPAC Name1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride
SMILESCCCCC(=O)N(C)CC(=O)Cl.CCCCCCl
InChIInChI=1S/C8H14ClNO2.C5H11Cl/c1-3-4-5-8(12)10(2)6-7(9)11;1-2-3-4-5-6/h3-6H2,1-2H3;2-5H2,1H3
InChIKeyLQMJZZYZLCNGCY-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpentanamide
CID 54875454
2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
calcium bis(2-[methyl(tetradecanoyl)amino]acetate)
CID 168911681
1-chloropentane;propan-2-one
CID 174417344
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
N-decanoyl-N-methyldecanamide
CID 141076390
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
12-chlorododecan-6-one
CID 162712835
1-chloropentacosan-7-one
CID 162712808
11-chloroundecan-5-one
CID 162712825

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride?
The IUPAC name of 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride (CID 175329155) is 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride.
What is the SMILES notation for 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride?
The canonical SMILES for 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride is CCCCC(=O)N(C)CC(=O)Cl.CCCCCCl.
What is the InChIKey of 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride?
The InChIKey is LQMJZZYZLCNGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2.C5H11Cl/c1-3-4-5-8(12)10(2)6-7(9)11;1-2-3-4-5-6/h3-6H2,1-2H3;2-5H2,1H3.
What are the key properties of 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride?
1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride has a molecular weight of 298.25 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2-[methyl(pentanoyl)amino]acetyl chloride is sourced from PubChem (CID 175329155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).