N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide

C25H23FN4O2 — CID 141329713

IUPACN-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3cccc4c3-c3ccccc3C4=O)c(N)cc2F)CC1
InChIInChI=1S/C25H23FN4O2/c1-29-9-11-30(12-10-29)22-14-21(20(27)13-19(22)26)28-25(32)18-8-4-7-17-23(18)15-5-2-3-6-16(15)24(17)31/h2-8,13-14H,9-12,27H2,1H3,(H,28,32)
InChIKeySFTVRTMXVAIBDZ-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.62
Rot. Bonds3

About N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide

N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide (PubChem CID 141329713) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide
PubChem CID141329713
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide
SMILESCN1CCN(c2cc(NC(=O)c3cccc4c3-c3ccccc3C4=O)c(N)cc2F)CC1
InChIInChI=1S/C25H23FN4O2/c1-29-9-11-30(12-10-29)22-14-21(20(27)13-19(22)26)28-25(32)18-8-4-7-17-23(18)15-5-2-3-6-16(15)24(17)31/h2-8,13-14H,9-12,27H2,1H3,(H,28,32)
InChIKeySFTVRTMXVAIBDZ-UHFFFAOYSA-N
XLogP3.62
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)benzoic acid
CID 59743247
2-bromo-4-fluoro-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16563640
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
[2-amino-5-(4-methylpiperazin-1-yl)-4-(2-phenylethynyl)phenyl]carbamic acid
CID 157230317
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
N-(4-bromo-2-methoxyphenyl)-9-oxofluorene-4-carboxamide
CID 1214724
1-amino-4-anilino-2-(4-methylpiperazin-1-yl)anthracene-9,10-dione
CID 7711277
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-9-oxofluorene-4-carboxamide
CID 10874342
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide?
The IUPAC name of N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide (CID 141329713) is N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide.
What is the SMILES notation for N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide?
The canonical SMILES for N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide is CN1CCN(c2cc(NC(=O)c3cccc4c3-c3ccccc3C4=O)c(N)cc2F)CC1.
What is the InChIKey of N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide?
The InChIKey is SFTVRTMXVAIBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-29-9-11-30(12-10-29)22-14-21(20(27)13-19(22)26)28-25(32)18-8-4-7-17-23(18)15-5-2-3-6-16(15)24(17)31/h2-8,13-14H,9-12,27H2,1H3,(H,28,32).
What are the key properties of N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide?
N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide is sourced from PubChem (CID 141329713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).