2-(chloroamino)-N-methylpropanamide

C4H9ClN2O — CID 19827989

IUPAC2-(chloroamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NCl
InChIInChI=1S/C4H9ClN2O/c1-3(7-5)4(8)6-2/h3,7H,1-2H3,(H,6,8)
InChIKeyYQUKXPQYDIYAFN-UHFFFAOYSA-N
MW136.58 g/mol
LogP-0.14
Rot. Bonds2

About 2-(chloroamino)-N-methylpropanamide

2-(chloroamino)-N-methylpropanamide (PubChem CID 19827989) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is 2-(chloroamino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(chloroamino)-N-methylpropanamide
PubChem CID19827989
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name2-(chloroamino)-N-methylpropanamide
SMILESCNC(=O)C(C)NCl
InChIInChI=1S/C4H9ClN2O/c1-3(7-5)4(8)6-2/h3,7H,1-2H3,(H,6,8)
InChIKeyYQUKXPQYDIYAFN-UHFFFAOYSA-N
XLogP-0.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
N-methyl-2-(methylcarbamothioylamino)propanamide
CID 115588003
(2R)-2-chloro-N-methylpropanamide
CID 7130812
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653

Frequently Asked Questions

What is the IUPAC name of 2-(chloroamino)-N-methylpropanamide?
The IUPAC name of 2-(chloroamino)-N-methylpropanamide (CID 19827989) is 2-(chloroamino)-N-methylpropanamide.
What is the SMILES notation for 2-(chloroamino)-N-methylpropanamide?
The canonical SMILES for 2-(chloroamino)-N-methylpropanamide is CNC(=O)C(C)NCl.
What is the InChIKey of 2-(chloroamino)-N-methylpropanamide?
The InChIKey is YQUKXPQYDIYAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClN2O/c1-3(7-5)4(8)6-2/h3,7H,1-2H3,(H,6,8).
What are the key properties of 2-(chloroamino)-N-methylpropanamide?
2-(chloroamino)-N-methylpropanamide has a molecular weight of 136.58 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloroamino)-N-methylpropanamide is sourced from PubChem (CID 19827989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).