N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide

C26H28FN3O3 — CID 34944479

IUPACN-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESCc1ccc(CNC(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1F
InChIInChI=1S/C26H28FN3O3/c1-18-4-5-20(13-24(18)27)14-28-25(31)17-30(16-23-3-2-12-33-23)15-19-6-8-21(9-7-19)26(32)29-22-10-11-22/h2-9,12-13,22H,10-11,14-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyXIZHKKQECAQXIG-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.94
Rot. Bonds10

About N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide

N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 34944479) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID34944479
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC NameN-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESCc1ccc(CNC(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1F
InChIInChI=1S/C26H28FN3O3/c1-18-4-5-20(13-24(18)27)14-28-25(31)17-30(16-23-3-2-12-33-23)15-19-6-8-21(9-7-19)26(32)29-22-10-11-22/h2-9,12-13,22H,10-11,14-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyXIZHKKQECAQXIG-UHFFFAOYSA-N
XLogP3.94
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide 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-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
N-cyclopropyl-4-[[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
ethyl 4-[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]piperazine-1-carboxylate
CID 34215828
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
4-[[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 55557552
4-[[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 43061589
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 34943754

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide (CID 34944479) is N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide is Cc1ccc(CNC(=O)CN(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)cc1F.
What is the InChIKey of N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is XIZHKKQECAQXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-18-4-5-20(13-24(18)27)14-28-25(31)17-30(16-23-3-2-12-33-23)15-19-6-8-21(9-7-19)26(32)29-22-10-11-22/h2-9,12-13,22H,10-11,14-17H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 34944479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).