2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide

C7H13ClN2O2 — CID 43114793

IUPAC2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
SMILESCC(C)N(C)C(=O)NC(=O)CCl
InChIInChI=1S/C7H13ClN2O2/c1-5(2)10(3)7(12)9-6(11)4-8/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeySXGQVOUQNKJMLY-UHFFFAOYSA-N
MW192.65 g/mol
LogP0.80
Rot. Bonds2

About 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide

2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide (PubChem CID 43114793) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
PubChem CID43114793
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
SMILESCC(C)N(C)C(=O)NC(=O)CCl
InChIInChI=1S/C7H13ClN2O2/c1-5(2)10(3)7(12)9-6(11)4-8/h5H,4H2,1-3H3,(H,9,11,12)
InChIKeySXGQVOUQNKJMLY-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 50.80
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

6-[[methyl(propan-2-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447310
2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
CID 43243232
2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
CID 43296215
2-chloro-N-methyl-N-propan-2-ylacetamide
CID 8899730
2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide
CID 79864431
N-[butyl(methyl)carbamoyl]-2-chloroacetamide
CID 43114794
2-chloro-N-[cycloheptyl(methyl)carbamoyl]acetamide
CID 43614380
N-acetyl-2-chloroacetamide
CID 2366697
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide
CID 126677299
2-chloro-N',N'-dimethylacetohydrazide
CID 12559346
1-methyl-1-propan-2-yl-3-prop-2-ynylurea
CID 130917729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide (CID 43114793) is 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide is CC(C)N(C)C(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide?
The InChIKey is SXGQVOUQNKJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O2/c1-5(2)10(3)7(12)9-6(11)4-8/h5H,4H2,1-3H3,(H,9,11,12).
What are the key properties of 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide?
2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide has a molecular weight of 192.65 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide is sourced from PubChem (CID 43114793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).