2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide

C10H19ClN2O2 — CID 43570517

IUPAC2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)C(C)C(C)C
InChIInChI=1S/C10H19ClN2O2/c1-6(2)8(4)13(5)10(15)12-9(14)7(3)11/h6-8H,1-5H3,(H,12,14,15)
InChIKeyAWRVNCPJNRDLNN-UHFFFAOYSA-N
MW234.73 g/mol
LogP1.83
Rot. Bonds3

About 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide

2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide (PubChem CID 43570517) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide
PubChem CID43570517
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)C(C)C(C)C
InChIInChI=1S/C10H19ClN2O2/c1-6(2)8(4)13(5)10(15)12-9(14)7(3)11/h6-8H,1-5H3,(H,12,14,15)
InChIKeyAWRVNCPJNRDLNN-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 51.83
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-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide
CID 79864342
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
methyl N-[(2R)-2-chloropropanoyl]carbamate
CID 7130835
2-chloro-N-[methyl(2-thiophen-2-ylethyl)carbamoyl]propanamide
CID 79487982
2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43311123
(2R)-2-chloro-N-methylpropanamide
CID 7130812
(2S,3S)-3-methyl-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 61203270
N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-2-chloropropanamide
CID 63684997
2-(2-chloropropanoylamino)-N,N-dimethylpropanamide
CID 43578901
2-chloro-N-[ethyl-(4-methylphenyl)carbamoyl]propanamide
CID 62002328
2-chloro-N-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]propanamide
CID 63026922

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide (CID 43570517) is 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(C)C(C)C(C)C.
What is the InChIKey of 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide?
The InChIKey is AWRVNCPJNRDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-6(2)8(4)13(5)10(15)12-9(14)7(3)11/h6-8H,1-5H3,(H,12,14,15).
What are the key properties of 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide?
2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide has a molecular weight of 234.73 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide is sourced from PubChem (CID 43570517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).