2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide

C13H17ClFN3O2 — CID 4265996

IUPAC2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN3O2/c1-7(2)5-11(18-13(16)20)12(19)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyFYLGYTZUAPDKOU-UHFFFAOYSA-N
MW301.75 g/mol
LogP2.50
Rot. Bonds5

About 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide

2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide (PubChem CID 4265996) has the molecular formula C13H17ClFN3O2 and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide
PubChem CID4265996
Molecular FormulaC13H17ClFN3O2
Molecular Weight301.75 g/mol
Exact Mass301.10
IUPAC Name2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN3O2/c1-7(2)5-11(18-13(16)20)12(19)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyFYLGYTZUAPDKOU-UHFFFAOYSA-N
XLogP2.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide (CID 4265996) is 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide?
The InChIKey is FYLGYTZUAPDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O2/c1-7(2)5-11(18-13(16)20)12(19)17-8-3-4-10(15)9(14)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide?
2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide has a molecular weight of 301.75 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 4265996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).