N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide

C17H19ClN2O3 — CID 119052204

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide
SMILESCC(C)c1ccoc1C(=O)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-11(2)14-7-10-23-15(14)17(22)20-9-8-19-16(21)12-3-5-13(18)6-4-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXYYXXVPMUVOYMK-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide (PubChem CID 119052204) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide
PubChem CID119052204
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide
SMILESCC(C)c1ccoc1C(=O)NCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-11(2)14-7-10-23-15(14)17(22)20-9-8-19-16(21)12-3-5-13(18)6-4-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXYYXXVPMUVOYMK-UHFFFAOYSA-N
XLogP3.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]benzamide
CID 111124785
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide (CID 119052204) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide is CC(C)c1ccoc1C(=O)NCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide?
The InChIKey is XYYXXVPMUVOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11(2)14-7-10-23-15(14)17(22)20-9-8-19-16(21)12-3-5-13(18)6-4-12/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 119052204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).