N-(2-chloroethyl)-2-methylpropanamide

C6H12ClNO — CID 21034170

IUPACN-(2-chloroethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCl
InChIInChI=1S/C6H12ClNO/c1-5(2)6(9)8-4-3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyFBUAMTNFLRUQEY-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.00
Rot. Bonds3

About N-(2-chloroethyl)-2-methylpropanamide

N-(2-chloroethyl)-2-methylpropanamide (PubChem CID 21034170) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methylpropanamide
PubChem CID21034170
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-(2-chloroethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCl
InChIInChI=1S/C6H12ClNO/c1-5(2)6(9)8-4-3-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyFBUAMTNFLRUQEY-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-chloroethyl)propanamide
CID 55302965
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
N-[2-(2-chloroethoxy)ethyl]-2-methylpropanamide
CID 114297620
N-(4-chloro-2-methylbutyl)-2-methylpropanamide
CID 114306119
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
2-amino-N-(2-chloroethyl)-3-hydroxypropanamide
CID 55301711
N-(aminomethyl)-2-methylpropanamide
CID 88582106
bis(3-(2-methylpropanoylamino)propanoic acid);tetrahydrate
CID 174949925
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-(3-iodobutyl)-2-methylpropanamide
CID 139362992

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methylpropanamide?
The IUPAC name of N-(2-chloroethyl)-2-methylpropanamide (CID 21034170) is N-(2-chloroethyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-2-methylpropanamide is CC(C)C(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-2-methylpropanamide?
The InChIKey is FBUAMTNFLRUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-5(2)6(9)8-4-3-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(2-chloroethyl)-2-methylpropanamide?
N-(2-chloroethyl)-2-methylpropanamide has a molecular weight of 149.62 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methylpropanamide is sourced from PubChem (CID 21034170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).