N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide

C14H17ClN4O2 — CID 80579081

IUPACN-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
SMILESCCn1ccn(CCC(=O)Nc2cc(Cl)ccc2N)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-2-18-7-8-19(14(18)21)6-5-13(20)17-12-9-10(15)3-4-11(12)16/h3-4,7-9H,2,5-6,16H2,1H3,(H,17,20)
InChIKeyOOHVLPPLVIXGSO-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.93
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide

N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide (PubChem CID 80579081) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
PubChem CID80579081
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC NameN-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
SMILESCCn1ccn(CCC(=O)Nc2cc(Cl)ccc2N)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-2-18-7-8-19(14(18)21)6-5-13(20)17-12-9-10(15)3-4-11(12)16/h3-4,7-9H,2,5-6,16H2,1H3,(H,17,20)
InChIKeyOOHVLPPLVIXGSO-UHFFFAOYSA-N
XLogP1.93
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-amino-5-chlorophenyl)-3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanamide
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N-(2-amino-5-chlorophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
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N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
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N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
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N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
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CID 16788832

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide (CID 80579081) is N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide is CCn1ccn(CCC(=O)Nc2cc(Cl)ccc2N)c1=O.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
The InChIKey is OOHVLPPLVIXGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-18-7-8-19(14(18)21)6-5-13(20)17-12-9-10(15)3-4-11(12)16/h3-4,7-9H,2,5-6,16H2,1H3,(H,17,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide?
N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide has a molecular weight of 308.77 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide is sourced from PubChem (CID 80579081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).