3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide

C23H19FN2O2 — CID 174639472

IUPAC3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
SMILESCc1ccc2c3c(C(=O)CC(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C23H19FN2O2/c1-14-8-9-17-20(10-14)26(13-15-4-2-5-16(24)11-15)19-7-3-6-18(23(17)19)21(27)12-22(25)28/h2-11H,12-13H2,1H3,(H2,25,28)
InChIKeyOPJODHYPOQRYGW-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.35
Rot. Bonds5

About 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide

3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide (PubChem CID 174639472) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide.

Molecular Properties

Compound Name3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
PubChem CID174639472
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
SMILESCc1ccc2c3c(C(=O)CC(N)=O)cccc3n(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C23H19FN2O2/c1-14-8-9-17-20(10-14)26(13-15-4-2-5-16(24)11-15)19-7-3-6-18(23(17)19)21(27)12-22(25)28/h2-11H,12-13H2,1H3,(H2,25,28)
InChIKeyOPJODHYPOQRYGW-UHFFFAOYSA-N
XLogP4.35
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-9-[(6-methylnaphthalen-2-yl)methyl]carbazole-4-carboxamide
CID 174444285
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
CID 22738295
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
7-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174401716
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
9-[(2,5-difluorophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174400321

Frequently Asked Questions

What is the IUPAC name of 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide?
The IUPAC name of 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide (CID 174639472) is 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide.
What is the SMILES notation for 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide?
The canonical SMILES for 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide is Cc1ccc2c3c(C(=O)CC(N)=O)cccc3n(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide?
The InChIKey is OPJODHYPOQRYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-14-8-9-17-20(10-14)26(13-15-4-2-5-16(24)11-15)19-7-3-6-18(23(17)19)21(27)12-22(25)28/h2-11H,12-13H2,1H3,(H2,25,28).
What are the key properties of 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide?
3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide has a molecular weight of 374.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide is sourced from PubChem (CID 174639472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).