N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide

C24H25ClN2O3 — CID 16552654

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H25ClN2O3/c1-2-27(17-23(28)26-16-18-8-10-20(25)11-9-18)24(29)15-13-21-12-14-22(30-21)19-6-4-3-5-7-19/h3-12,14H,2,13,15-17H2,1H3,(H,26,28)
InChIKeyKEGQCGUOBNOJRO-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.70
Rot. Bonds9

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 16552654) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide
PubChem CID16552654
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C24H25ClN2O3/c1-2-27(17-23(28)26-16-18-8-10-20(25)11-9-18)24(29)15-13-21-12-14-22(30-21)19-6-4-3-5-7-19/h3-12,14H,2,13,15-17H2,1H3,(H,26,28)
InChIKeyKEGQCGUOBNOJRO-UHFFFAOYSA-N
XLogP4.70
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 18113039
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 135821176
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 26266197
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-ethylacetamide
CID 18079819
3-(5-phenylfuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483404
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 55744510
3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
CID 9021360
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide (CID 16552654) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is KEGQCGUOBNOJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-2-27(17-23(28)26-16-18-8-10-20(25)11-9-18)24(29)15-13-21-12-14-22(30-21)19-6-4-3-5-7-19/h3-12,14H,2,13,15-17H2,1H3,(H,26,28).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 424.93 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 16552654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).