N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide

C33H29F2N7O2 — CID 23299956

IUPACN-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide
SMILESCCC(NC(=O)c1cccc2nc3cccc(F)c3nc12)C(N)C(CC)NC(=O)c1cccc2nc3cccc(F)c3nc12
InChIInChI=1S/C33H29F2N7O2/c1-3-21(39-32(43)17-9-5-13-23-28(17)41-30-19(34)11-7-15-25(30)37-23)27(36)22(4-2)40-33(44)18-10-6-14-24-29(18)42-31-20(35)12-8-16-26(31)38-24/h5-16,21-22,27H,3-4,36H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyKWFWDUIYANCWSS-UHFFFAOYSA-N
MW593.64 g/mol
LogP5.20
Rot. Bonds8

About N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide

N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide (PubChem CID 23299956) has the molecular formula C33H29F2N7O2 and a molecular weight of 593.64 g/mol. Its IUPAC name is N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide
PubChem CID23299956
Molecular FormulaC33H29F2N7O2
Molecular Weight593.64 g/mol
Exact Mass593.24
IUPAC NameN-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide
SMILESCCC(NC(=O)c1cccc2nc3cccc(F)c3nc12)C(N)C(CC)NC(=O)c1cccc2nc3cccc(F)c3nc12
InChIInChI=1S/C33H29F2N7O2/c1-3-21(39-32(43)17-9-5-13-23-28(17)41-30-19(34)11-7-15-25(30)37-23)27(36)22(4-2)40-33(44)18-10-6-14-24-29(18)42-31-20(35)12-8-16-26(31)38-24/h5-16,21-22,27H,3-4,36H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyKWFWDUIYANCWSS-UHFFFAOYSA-N
XLogP5.20
TPSA135.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.64
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-5-[(3-chlorophenazine-1-carbonyl)amino]heptan-3-yl]-3-chlorophenazine-1-carboxamide
CID 23299931
3-chloro-N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-hydroxybenzamide
CID 154863739
N-methylphenazine-1-carboxamide
CID 4257706
2-hydroxy-N-(2-methylpentan-3-yl)benzamide
CID 61465472
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
CID 10570753
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide?
The IUPAC name of N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide (CID 23299956) is N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide.
What is the SMILES notation for N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide?
The canonical SMILES for N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide is CCC(NC(=O)c1cccc2nc3cccc(F)c3nc12)C(N)C(CC)NC(=O)c1cccc2nc3cccc(F)c3nc12.
What is the InChIKey of N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide?
The InChIKey is KWFWDUIYANCWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N7O2/c1-3-21(39-32(43)17-9-5-13-23-28(17)41-30-19(34)11-7-15-25(30)37-23)27(36)22(4-2)40-33(44)18-10-6-14-24-29(18)42-31-20(35)12-8-16-26(31)38-24/h5-16,21-22,27H,3-4,36H2,1-2H3,(H,39,43)(H,40,44).
What are the key properties of N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide?
N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide has a molecular weight of 593.64 g/mol, XLogP of 5.20, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-[(9-fluorophenazine-1-carbonyl)amino]heptan-3-yl]-9-fluorophenazine-1-carboxamide is sourced from PubChem (CID 23299956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).