N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide

C25H25F2N3O4 — CID 34216209

IUPACN-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)Nc1ccccc1OC(F)F
InChIInChI=1S/C25H25F2N3O4/c26-25(27)34-22-6-2-1-5-21(22)29-23(31)16-30(15-20-4-3-13-33-20)14-17-7-9-18(10-8-17)24(32)28-19-11-12-19/h1-10,13,19,25H,11-12,14-16H2,(H,28,32)(H,29,31)
InChIKeyCCZMEEXLDRLJMA-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.41
Rot. Bonds11

About N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide

N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 34216209) has the molecular formula C25H25F2N3O4 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID34216209
Molecular FormulaC25H25F2N3O4
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC NameN-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)Nc1ccccc1OC(F)F
InChIInChI=1S/C25H25F2N3O4/c26-25(27)34-22-6-2-1-5-21(22)29-23(31)16-30(15-20-4-3-13-33-20)14-17-7-9-18(10-8-17)24(32)28-19-11-12-19/h1-10,13,19,25H,11-12,14-16H2,(H,28,32)(H,29,31)
InChIKeyCCZMEEXLDRLJMA-UHFFFAOYSA-N
XLogP4.41
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[[[2-(2-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798223
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943710
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-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(naphthalen-1-ylamino)-3-oxopropyl]amino]methyl]benzamide
CID 43065666
4-[[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 55557552
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 34943884
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]amino]methyl]benzamide
CID 34216561
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide (CID 34216209) is N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide is O=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)Nc1ccccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is CCZMEEXLDRLJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O4/c26-25(27)34-22-6-2-1-5-21(22)29-23(31)16-30(15-20-4-3-13-33-20)14-17-7-9-18(10-8-17)24(32)28-19-11-12-19/h1-10,13,19,25H,11-12,14-16H2,(H,28,32)(H,29,31).
What are the key properties of N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 469.49 g/mol, XLogP of 4.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 34216209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).