N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide

C22H16N2O3 — CID 32637447

IUPACN-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C22H16N2O3/c23-21(26)14-5-3-4-13(10-14)12-24-22(27)15-8-9-17-16-6-1-2-7-18(16)20(25)19(17)11-15/h1-11H,12H2,(H2,23,26)(H,24,27)
InChIKeyNGHXOALZUHBEGG-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.93
Rot. Bonds4

About N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide

N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide (PubChem CID 32637447) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide
PubChem CID32637447
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC NameN-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1
InChIInChI=1S/C22H16N2O3/c23-21(26)14-5-3-4-13(10-14)12-24-22(27)15-8-9-17-16-6-1-2-7-18(16)20(25)19(17)11-15/h1-11H,12H2,(H2,23,26)(H,24,27)
InChIKeyNGHXOALZUHBEGG-UHFFFAOYSA-N
XLogP2.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55900128
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
CID 16613074
3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]benzamide
CID 55830520
N-[(3-carbamoylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32636396
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide (CID 32637447) is N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide is NC(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide?
The InChIKey is NGHXOALZUHBEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c23-21(26)14-5-3-4-13(10-14)12-24-22(27)15-8-9-17-16-6-1-2-7-18(16)20(25)19(17)11-15/h1-11H,12H2,(H2,23,26)(H,24,27).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide?
N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 32637447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).