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

C7H13ClN2O2 — CID 43310975

IUPAC3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCCl
InChIInChI=1S/C7H13ClN2O2/c1-10(2)7(12)5-9-6(11)3-4-8/h3-5H2,1-2H3,(H,9,11)
InChIKeyREJFRUYVPHUFFE-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.18
Rot. Bonds4

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

3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide (PubChem CID 43310975) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide
PubChem CID43310975
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide
SMILESCN(C)C(=O)CNC(=O)CCCl
InChIInChI=1S/C7H13ClN2O2/c1-10(2)7(12)5-9-6(11)3-4-8/h3-5H2,1-2H3,(H,9,11)
InChIKeyREJFRUYVPHUFFE-UHFFFAOYSA-N
XLogP-0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.18
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

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
Acetamide, 2-(N-(2-chloroethyl)-N-(2-chloropropyl)amino)-, monohydrochloride
CID 59590
N-[(1S)-1-(Aminocarbonyl)propyl]-4-chlorobutanamide
CID 21902118
2-amino-N-(3-chloropropyl)-2-fluoroacetamide
CID 169105653
n2-Acetyl-n,n-bis(2-chloropropyl)alaninamide
CID 250333
2-amino-N-(3-chloro-2-oxopropyl)propanamide
CID 134870301
2-amino-N-(4-chloro-3-oxobutan-2-yl)acetamide
CID 134891663
2-amino-N-(3-chloro-2-oxopropyl)acetamide
CID 134891665
2-amino-N-(4-chloro-3-oxobutan-2-yl)propanamide
CID 134891682
3-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
CID 60949951

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide (CID 43310975) is 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide is CN(C)C(=O)CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
The InChIKey is REJFRUYVPHUFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O2/c1-10(2)7(12)5-9-6(11)3-4-8/h3-5H2,1-2H3,(H,9,11).
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide?
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide has a molecular weight of 192.65 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 43310975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).