3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide

C10H16Cl3N3O3 — CID 173065374

IUPAC3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide
SMILESCC(C)C(C(Cl)C(N)=O)(C(Cl)C(N)=O)C(Cl)C(N)=O
InChIInChI=1S/C10H16Cl3N3O3/c1-3(2)10(4(11)7(14)17,5(12)8(15)18)6(13)9(16)19/h3-6H,1-2H3,(H2,14,17)(H2,15,18)(H2,16,19)
InChIKeyNQLJSGRVXGDUBJ-UHFFFAOYSA-N
MW332.62 g/mol
LogP-0.09
Rot. Bonds7

About 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide

3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide (PubChem CID 173065374) has the molecular formula C10H16Cl3N3O3 and a molecular weight of 332.62 g/mol. Its IUPAC name is 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide.

Molecular Properties

Compound Name3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide
PubChem CID173065374
Molecular FormulaC10H16Cl3N3O3
Molecular Weight332.62 g/mol
Exact Mass331.03
IUPAC Name3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide
SMILESCC(C)C(C(Cl)C(N)=O)(C(Cl)C(N)=O)C(Cl)C(N)=O
InChIInChI=1S/C10H16Cl3N3O3/c1-3(2)10(4(11)7(14)17,5(12)8(15)18)6(13)9(16)19/h3-6H,1-2H3,(H2,14,17)(H2,15,18)(H2,16,19)
InChIKeyNQLJSGRVXGDUBJ-UHFFFAOYSA-N
XLogP-0.09
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.62
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloroethane;urea
CID 158856998
2-chloro-4-methylpentanamide
CID 62224745
(2R,3S)-2-amino-3-chlorobutanamide
CID 71420306
2,3-dimethylbutanediamide
CID 55281411
[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]azanium
CID 7271814
2-bromo-4-chloro-5-methylhexanamide
CID 137380324
2-phosphorosopropanamide
CID 174589319
(2R)-2,3,3-trimethylbutanamide
CID 11579125
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420
(2R)-2-chloro-3-oxobutanamide
CID 98075888
2-methyl-2-propan-2-ylpropanediamide
CID 45122126
2-aminopropanamide;dihydrochloride
CID 19963402

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide?
The IUPAC name of 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide (CID 173065374) is 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide.
What is the SMILES notation for 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide?
The canonical SMILES for 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide is CC(C)C(C(Cl)C(N)=O)(C(Cl)C(N)=O)C(Cl)C(N)=O.
What is the InChIKey of 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide?
The InChIKey is NQLJSGRVXGDUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl3N3O3/c1-3(2)10(4(11)7(14)17,5(12)8(15)18)6(13)9(16)19/h3-6H,1-2H3,(H2,14,17)(H2,15,18)(H2,16,19).
What are the key properties of 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide?
3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide has a molecular weight of 332.62 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-chloro-2-oxoethyl)-2,4-dichloro-3-propan-2-ylpentanediamide is sourced from PubChem (CID 173065374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).