N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide

C24H27FN2O — CID 141196596

IUPACN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide
SMILESCCCN(C(=O)CCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C24H27FN2O/c1-2-14-27(24(28)13-8-17-6-4-3-5-7-17)19-10-12-23-21(16-19)20-15-18(25)9-11-22(20)26-23/h3-7,9,11,15,19,26H,2,8,10,12-14,16H2,1H3
InChIKeyYMDFWASGBNCJNI-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.04
Rot. Bonds6

About N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide

N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide (PubChem CID 141196596) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide
PubChem CID141196596
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC NameN-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide
SMILESCCCN(C(=O)CCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C24H27FN2O/c1-2-14-27(24(28)13-8-17-6-4-3-5-7-17)19-10-12-23-21(16-19)20-15-18(25)9-11-22(20)26-23/h3-7,9,11,15,19,26H,2,8,10,12-14,16H2,1H3
InChIKeyYMDFWASGBNCJNI-UHFFFAOYSA-N
XLogP5.04
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 91126905
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
2-[(3S)-3-[ethyl(3-phenylpropanoyl)amino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024058
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
2-[6-fluoro-3-[methyl(3-phenylpropanoyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67207218
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203690
N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
CID 70157355
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860
N,N-dipropyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203605
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide?
The IUPAC name of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide (CID 141196596) is N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide.
What is the SMILES notation for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide?
The canonical SMILES for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide is CCCN(C(=O)CCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide?
The InChIKey is YMDFWASGBNCJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-2-14-27(24(28)13-8-17-6-4-3-5-7-17)19-10-12-23-21(16-19)20-15-18(25)9-11-22(20)26-23/h3-7,9,11,15,19,26H,2,8,10,12-14,16H2,1H3.
What are the key properties of N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide?
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide has a molecular weight of 378.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 141196596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).