N-[butyl(methyl)carbamoyl]-2-chloroacetamide

C8H15ClN2O2 — CID 43114794

IUPACN-[butyl(methyl)carbamoyl]-2-chloroacetamide
SMILESCCCCN(C)C(=O)NC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-3-4-5-11(2)8(13)10-7(12)6-9/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyPLCWWYZCDWXGQO-UHFFFAOYSA-N
MW206.67 g/mol
LogP1.19
Rot. Bonds4

About N-[butyl(methyl)carbamoyl]-2-chloroacetamide

N-[butyl(methyl)carbamoyl]-2-chloroacetamide (PubChem CID 43114794) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is N-[butyl(methyl)carbamoyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[butyl(methyl)carbamoyl]-2-chloroacetamide
PubChem CID43114794
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC NameN-[butyl(methyl)carbamoyl]-2-chloroacetamide
SMILESCCCCN(C)C(=O)NC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-3-4-5-11(2)8(13)10-7(12)6-9/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyPLCWWYZCDWXGQO-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
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-[ethyl(methyl)carbamoyl]acetamide
CID 43243232
N-[butyl(cyclopropyl)carbamoyl]-2-chloroacetamide
CID 61444001
2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide
CID 79864431
2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
CID 43296215
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
CID 43114793
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
1-butyl-3-(cyanomethyl)-1-methylurea
CID 108864807
N-butyl-N-methylacetamide;ethane
CID 142088805
N-butyl-N-methylcarbamate
CID 23071400
3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea
CID 167106061
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63700596

Frequently Asked Questions

What is the IUPAC name of N-[butyl(methyl)carbamoyl]-2-chloroacetamide?
The IUPAC name of N-[butyl(methyl)carbamoyl]-2-chloroacetamide (CID 43114794) is N-[butyl(methyl)carbamoyl]-2-chloroacetamide.
What is the SMILES notation for N-[butyl(methyl)carbamoyl]-2-chloroacetamide?
The canonical SMILES for N-[butyl(methyl)carbamoyl]-2-chloroacetamide is CCCCN(C)C(=O)NC(=O)CCl.
What is the InChIKey of N-[butyl(methyl)carbamoyl]-2-chloroacetamide?
The InChIKey is PLCWWYZCDWXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-3-4-5-11(2)8(13)10-7(12)6-9/h3-6H2,1-2H3,(H,10,12,13).
What are the key properties of N-[butyl(methyl)carbamoyl]-2-chloroacetamide?
N-[butyl(methyl)carbamoyl]-2-chloroacetamide has a molecular weight of 206.67 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(methyl)carbamoyl]-2-chloroacetamide is sourced from PubChem (CID 43114794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).