2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide

C12H16ClN3O2 — CID 47112287

IUPAC2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-3-14-11(17)8(2)15-12(18)16-10-7-5-4-6-9(10)13/h4-8H,3H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyFCVKKRRZRACTKO-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.99
Rot. Bonds4

About 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide

2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide (PubChem CID 47112287) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide
PubChem CID47112287
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-3-14-11(17)8(2)15-12(18)16-10-7-5-4-6-9(10)13/h4-8H,3H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeyFCVKKRRZRACTKO-UHFFFAOYSA-N
XLogP1.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide (CID 47112287) is 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide?
The InChIKey is FCVKKRRZRACTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-3-14-11(17)8(2)15-12(18)16-10-7-5-4-6-9(10)13/h4-8H,3H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide?
2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide has a molecular weight of 269.73 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)carbamoylamino]-N-ethylpropanamide is sourced from PubChem (CID 47112287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).