3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide

C6H11ClN2O2 — CID 43310555

IUPAC3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)CCCl
InChIInChI=1S/C6H11ClN2O2/c1-8-6(11)4-9-5(10)2-3-7/h2-4H2,1H3,(H,8,11)(H,9,10)
InChIKeyOXJQMOTYWYSFNQ-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.52
Rot. Bonds4

About 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide

3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 43310555) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide
PubChem CID43310555
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)CCCl
InChIInChI=1S/C6H11ClN2O2/c1-8-6(11)4-9-5(10)2-3-7/h2-4H2,1H3,(H,8,11)(H,9,10)
InChIKeyOXJQMOTYWYSFNQ-UHFFFAOYSA-N
XLogP-0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.52
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

N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide, (S)-
CID 29938341
N,N'-Bis(3-chloropropionyl)ethylenediamine
CID 241648
N,N'-bis(3-chloropropyl)oxamide
CID 1581494
3-chloro-N-ethylpropanamide
CID 3519145
N,N'-Bis(2-chloroethyl)oxamide
CID 256649
Propionyl glycine amide
CID 4421251
N-[(1S)-1-(Aminocarbonyl)propyl]-4-chlorobutanamide
CID 21902118
2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide
CID 167098178
2-amino-N-(3-chloropropyl)-2-fluoroacetamide
CID 169105653
Propanamide, 3-chloro-N-propyl-
CID 4122953
2-amino-N-(3-chloro-2-oxopropyl)propanamide
CID 134870301
2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide
CID 134891663

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide (CID 43310555) is 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide is CNC(=O)CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is OXJQMOTYWYSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-8-6(11)4-9-5(10)2-3-7/h2-4H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide?
3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 178.62 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 43310555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).