2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide

C12H15Cl2N3O2 — CID 47133353

IUPAC2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-7(2)16-11(18)6-15-12(19)17-10-4-8(13)3-9(14)5-10/h3-5,7H,6H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyFRFSMRMYSSRFLW-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.64
Rot. Bonds4

About 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide

2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide (PubChem CID 47133353) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide
PubChem CID47133353
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-7(2)16-11(18)6-15-12(19)17-10-4-8(13)3-9(14)5-10/h3-5,7H,6H2,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyFRFSMRMYSSRFLW-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 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide (CID 47133353) is 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide?
The InChIKey is FRFSMRMYSSRFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-7(2)16-11(18)6-15-12(19)17-10-4-8(13)3-9(14)5-10/h3-5,7H,6H2,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide?
2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide 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 2-[(3,5-dichlorophenyl)carbamoylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 47133353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).