N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide

C27H18F12N4O3 — CID 139198554

IUPACN-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NCCN(CCNC(=O)c1cc(F)c(F)c(F)c1F)CCNC(=O)c1cc(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C27H18F12N4O3/c28-13-7-10(16(31)22(37)19(13)34)25(44)40-1-4-43(5-2-41-26(45)11-8-14(29)20(35)23(38)17(11)32)6-3-42-27(46)12-9-15(30)21(36)24(39)18(12)33/h7-9H,1-6H2,(H,40,44)(H,41,45)(H,42,46)
InChIKeyXLKMYLDTJDGTMA-UHFFFAOYSA-N
MW674.44 g/mol
LogP4.25
Rot. Bonds12

About N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide

N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide (PubChem CID 139198554) has the molecular formula C27H18F12N4O3 and a molecular weight of 674.44 g/mol. Its IUPAC name is N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
PubChem CID139198554
Molecular FormulaC27H18F12N4O3
Molecular Weight674.44 g/mol
Exact Mass674.12
IUPAC NameN-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
SMILESO=C(NCCN(CCNC(=O)c1cc(F)c(F)c(F)c1F)CCNC(=O)c1cc(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C27H18F12N4O3/c28-13-7-10(16(31)22(37)19(13)34)25(44)40-1-4-43(5-2-41-26(45)11-8-14(29)20(35)23(38)17(11)32)6-3-42-27(46)12-9-15(30)21(36)24(39)18(12)33/h7-9H,1-6H2,(H,40,44)(H,41,45)(H,42,46)
InChIKeyXLKMYLDTJDGTMA-UHFFFAOYSA-N
XLogP4.25
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.44
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide 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

2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460606
2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83058281
tert-butyl N-[3-[(2,3,4,5-tetrafluorobenzoyl)amino]propyl]carbamate
CID 130257081
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide
CID 166315439
2-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]pentanoic acid
CID 65218696
2,3,4,5-tetrafluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547700
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
N-[2-[bis[2-[(2,3-dihydroxy-5-methylbenzoyl)amino]ethyl]amino]ethyl]-2,3-dihydroxy-5-methylbenzamide
CID 102443937
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3,4,5-tetrafluorobenzamide
CID 112794847
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
methyl 3-[ethyl-(2,3,4,5-tetrafluorobenzoyl)amino]propanoate
CID 61007496

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide (CID 139198554) is N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide is O=C(NCCN(CCNC(=O)c1cc(F)c(F)c(F)c1F)CCNC(=O)c1cc(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide?
The InChIKey is XLKMYLDTJDGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F12N4O3/c28-13-7-10(16(31)22(37)19(13)34)25(44)40-1-4-43(5-2-41-26(45)11-8-14(29)20(35)23(38)17(11)32)6-3-42-27(46)12-9-15(30)21(36)24(39)18(12)33/h7-9H,1-6H2,(H,40,44)(H,41,45)(H,42,46).
What are the key properties of N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide?
N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide has a molecular weight of 674.44 g/mol, XLogP of 4.25, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 139198554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).