N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide

C12H15Cl2N3O2 — CID 113001370

IUPACN-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)NCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-7(2)16-12(19)15-6-11(18)17-10-4-8(13)3-9(14)5-10/h3-5,7H,6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLGZHPMWZVIUJTN-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.64
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide

N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide (PubChem CID 113001370) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide
PubChem CID113001370
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)NCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-7(2)16-12(19)15-6-11(18)17-10-4-8(13)3-9(14)5-10/h3-5,7H,6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLGZHPMWZVIUJTN-UHFFFAOYSA-N
XLogP2.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide (CID 113001370) is N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide is CC(C)NC(=O)NCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
The InChIKey is LGZHPMWZVIUJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-7(2)16-12(19)15-6-11(18)17-10-4-8(13)3-9(14)5-10/h3-5,7H,6H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide?
N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide has a molecular weight of 304.18 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(propan-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 113001370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).