N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide

C19H17F2N3O3 — CID 25171731

IUPACN-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/OCC2CC2)cc1
InChIInChI=1S/C19H17F2N3O3/c20-15-2-1-3-16(21)17(15)18(25)24-19(26)23-14-8-6-12(7-9-14)10-22-27-11-13-4-5-13/h1-3,6-10,13H,4-5,11H2,(H2,23,24,25,26)/b22-10+
InChIKeyRYMKGACMWHNCJE-LSHDLFTRSA-N
MW373.36 g/mol
LogP3.69
Rot. Bonds6

About N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 25171731) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID25171731
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC NameN-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/OCC2CC2)cc1
InChIInChI=1S/C19H17F2N3O3/c20-15-2-1-3-16(21)17(15)18(25)24-19(26)23-14-8-6-12(7-9-14)10-22-27-11-13-4-5-13/h1-3,6-10,13H,4-5,11H2,(H2,23,24,25,26)/b22-10+
InChIKeyRYMKGACMWHNCJE-LSHDLFTRSA-N
XLogP3.69
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide
CID 25171523
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
2,6-difluoro-N-[[4-(2-oxa-3-azabicyclo[3.1.0]hex-3-en-4-yl)phenyl]carbamoyl]benzamide
CID 53244085
2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
CID 2799401
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-[[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylcarbamoyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 67937875
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
N-[(Z)-C-(2-chloro-6-fluorophenyl)-N-(cyclopropylmethoxy)carbonimidoyl]acetamide;ethane
CID 172927384
N-[[4-[[(Z)-[1-(4-chlorophenyl)-2-methylpropylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88676124
N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88671840

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide (CID 25171731) is N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/OCC2CC2)cc1.
What is the InChIKey of N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is RYMKGACMWHNCJE-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c20-15-2-1-3-16(21)17(15)18(25)24-19(26)23-14-8-6-12(7-9-14)10-22-27-11-13-4-5-13/h1-3,6-10,13H,4-5,11H2,(H2,23,24,25,26)/b22-10+.
What are the key properties of N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 373.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 25171731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).