(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide

C8H15ClN2O2 — CID 9207769

IUPAC(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-3-4-10-8(13)6(2)11-7(12)5-9/h6H,3-5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyTZIMCSYFGJQXDS-LURJTMIESA-N
MW206.67 g/mol
LogP0.26
Rot. Bonds5

About (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide

(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide (PubChem CID 9207769) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
PubChem CID9207769
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)CCl
InChIInChI=1S/C8H15ClN2O2/c1-3-4-10-8(13)6(2)11-7(12)5-9/h6H,3-5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyTZIMCSYFGJQXDS-LURJTMIESA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
CID 107908685
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
2-(carbamothioylamino)-N-propylpropanamide
CID 61476796
N-propyl-2-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 78912815
2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid
CID 60941827
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310
2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
CID 18739938
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide (CID 9207769) is (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)CCl.
What is the InChIKey of (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide?
The InChIKey is TZIMCSYFGJQXDS-LURJTMIESA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-3-4-10-8(13)6(2)11-7(12)5-9/h6H,3-5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide?
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide has a molecular weight of 206.67 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide is sourced from PubChem (CID 9207769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).