N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide

C22H27FN4O3 — CID 112798459

IUPACN-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H27FN4O3/c1-3-27(15-20(28)24-13-18-9-11-19(23)12-10-18)16(2)21(29)26-22(30)25-14-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,24,28)(H2,25,26,29,30)
InChIKeyNWCVFONZEZJITB-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.18
Rot. Bonds9

About N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide

N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide (PubChem CID 112798459) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
PubChem CID112798459
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C22H27FN4O3/c1-3-27(15-20(28)24-13-18-9-11-19(23)12-10-18)16(2)21(29)26-22(30)25-14-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,24,28)(H2,25,26,29,30)
InChIKeyNWCVFONZEZJITB-UHFFFAOYSA-N
XLogP2.18
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 112769362
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 112798512
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769821
N-(3-chlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769359
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 112796373
N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769347
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 112798454
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302621
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27083840

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide (CID 112798459) is N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
The InChIKey is NWCVFONZEZJITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c1-3-27(15-20(28)24-13-18-9-11-19(23)12-10-18)16(2)21(29)26-22(30)25-14-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,24,28)(H2,25,26,29,30).
What are the key properties of N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide?
N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide has a molecular weight of 414.48 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 112798459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).