2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide

C7H15ClN2O — CID 82945659

IUPAC2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
SMILESCC(CN(C)C)NC(=O)CCl
InChIInChI=1S/C7H15ClN2O/c1-6(5-10(2)3)9-7(11)4-8/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyBCUGRYSGUZYKLF-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.29
Rot. Bonds4

About 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide

2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide (PubChem CID 82945659) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
PubChem CID82945659
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
SMILESCC(CN(C)C)NC(=O)CCl
InChIInChI=1S/C7H15ClN2O/c1-6(5-10(2)3)9-7(11)4-8/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeyBCUGRYSGUZYKLF-UHFFFAOYSA-N
XLogP0.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.29
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-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide
CID 82939084
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
N-[1-(dimethylamino)propan-2-yl]-5-hydroxypentanamide
CID 82949799
3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
CID 82945442
2-chloro-N-[1-[2-[(2-chloroacetyl)amino]propoxy]propan-2-yl]acetamide
CID 162712779
N-[1-(dimethylamino)propan-2-yl]-2,2-difluoroacetamide
CID 103515956
(3S)-3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-5-methylhexanamide
CID 82937599
2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115879988
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide (CID 82945659) is 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide is CC(CN(C)C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide?
The InChIKey is BCUGRYSGUZYKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O/c1-6(5-10(2)3)9-7(11)4-8/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide?
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide has a molecular weight of 178.66 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide is sourced from PubChem (CID 82945659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).