2-chloro-N-methyl-N-propan-2-ylacetamide

C6H12ClNO — CID 8899730

IUPAC2-chloro-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CCl
InChIInChI=1S/C6H12ClNO/c1-5(2)8(3)6(9)4-7/h5H,4H2,1-3H3
InChIKeyKRNJHVCQNNAHIF-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.09
Rot. Bonds2

About 2-chloro-N-methyl-N-propan-2-ylacetamide

2-chloro-N-methyl-N-propan-2-ylacetamide (PubChem CID 8899730) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-propan-2-ylacetamide
PubChem CID8899730
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-chloro-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CCl
InChIInChI=1S/C6H12ClNO/c1-5(2)8(3)6(9)4-7/h5H,4H2,1-3H3
InChIKeyKRNJHVCQNNAHIF-UHFFFAOYSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
(2R)-2-[(2-chloroacetyl)-methylamino]-3-methylbutanoic acid
CID 15677270
2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
CID 43114793
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
methyl 3-[methyl(propan-2-yl)amino]-3-oxopropanoate
CID 115174190
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
CID 141318691
2-tert-butylsulfanyl-N-methyl-N-propan-2-ylacetamide
CID 78814922
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-methyl-N-propan-2-ylacetamide (CID 8899730) is 2-chloro-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-propan-2-ylacetamide?
The InChIKey is KRNJHVCQNNAHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-5(2)8(3)6(9)4-7/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-propan-2-ylacetamide?
2-chloro-N-methyl-N-propan-2-ylacetamide has a molecular weight of 149.62 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 8899730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).