N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide

C23H19F2N3O2 — CID 60550642

IUPACN-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C23H19F2N3O2/c1-2-28-20-6-4-3-5-16(20)17-12-15(8-10-21(17)28)27-22(29)13-26-23(30)14-7-9-18(24)19(25)11-14/h3-12H,2,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyHQLDQXYXGTZTFI-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.46
Rot. Bonds5

About N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide

N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide (PubChem CID 60550642) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide
PubChem CID60550642
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC NameN-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C23H19F2N3O2/c1-2-28-20-6-4-3-5-16(20)17-12-15(8-10-21(17)28)27-22(29)13-26-23(30)14-7-9-18(24)19(25)11-14/h3-12H,2,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyHQLDQXYXGTZTFI-UHFFFAOYSA-N
XLogP4.46
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55789946
3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
CID 35508229
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 35651716
N-(9-ethylcarbazol-3-yl)-2-(oxiran-2-ylmethylamino)acetamide
CID 22458845
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 26702247
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425

Frequently Asked Questions

What is the IUPAC name of N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide (CID 60550642) is N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide is CCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide?
The InChIKey is HQLDQXYXGTZTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-2-28-20-6-4-3-5-16(20)17-12-15(8-10-21(17)28)27-22(29)13-26-23(30)14-7-9-18(24)19(25)11-14/h3-12H,2,13H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide?
N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide has a molecular weight of 407.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 60550642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).