N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide

C28H32ClFN4O4 — CID 3256305

IUPACN-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CCCN1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C28H32ClFN4O4/c29-25-18-23(9-10-26(25)30)31-28(36)33(12-5-11-32-13-16-37-17-14-32)21-27(35)34(20-24-8-4-15-38-24)19-22-6-2-1-3-7-22/h1-4,6-10,15,18H,5,11-14,16-17,19-21H2,(H,31,36)
InChIKeyWGSZZBDTMAIMKH-UHFFFAOYSA-N
MW543.04 g/mol
LogP4.86
Rot. Bonds11

About N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3256305) has the molecular formula C28H32ClFN4O4 and a molecular weight of 543.04 g/mol. Its IUPAC name is N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID3256305
Molecular FormulaC28H32ClFN4O4
Molecular Weight543.04 g/mol
Exact Mass542.21
IUPAC NameN-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(CCCN1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C28H32ClFN4O4/c29-25-18-23(9-10-26(25)30)31-28(36)33(12-5-11-32-13-16-37-17-14-32)21-27(35)34(20-24-8-4-15-38-24)19-22-6-2-1-3-7-22/h1-4,6-10,15,18H,5,11-14,16-17,19-21H2,(H,31,36)
InChIKeyWGSZZBDTMAIMKH-UHFFFAOYSA-N
XLogP4.86
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.04
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide 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

N-benzyl-2-[(3-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4255945
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3373428
2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4106421
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 42773151
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5121551
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]acetamide
CID 3433522
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide
CID 1058441
2-[(2-bromophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3301442
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 5048178
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 3256305) is N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide is O=C(CN(CCCN1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WGSZZBDTMAIMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClFN4O4/c29-25-18-23(9-10-26(25)30)31-28(36)33(12-5-11-32-13-16-37-17-14-32)21-27(35)34(20-24-8-4-15-38-24)19-22-6-2-1-3-7-22/h1-4,6-10,15,18H,5,11-14,16-17,19-21H2,(H,31,36).
What are the key properties of N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 543.04 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3256305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).