N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide

C24H24FN3O2 — CID 91526066

IUPACN-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide
SMILESO=NCc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CC[C@@H](NC(=O)C2CC2)C1
InChIInChI=1S/C24H24FN3O2/c25-18-3-1-2-16(10-18)14-28-22-8-4-15(13-26-30)11-20(22)21-12-19(7-9-23(21)28)27-24(29)17-5-6-17/h1-4,8,10-11,17,19H,5-7,9,12-14H2,(H,27,29)/t19-/m1/s1
InChIKeyJOTRBIYOFGSZMZ-LJQANCHMSA-N
MW405.47 g/mol
LogP4.48
Rot. Bonds6

About N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide

N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide (PubChem CID 91526066) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide
PubChem CID91526066
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide
SMILESO=NCc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CC[C@@H](NC(=O)C2CC2)C1
InChIInChI=1S/C24H24FN3O2/c25-18-3-1-2-16(10-18)14-28-22-8-4-15(13-26-30)11-20(22)21-12-19(7-9-23(21)28)27-24(29)17-5-6-17/h1-4,8,10-11,17,19H,5-7,9,12-14H2,(H,27,29)/t19-/m1/s1
InChIKeyJOTRBIYOFGSZMZ-LJQANCHMSA-N
XLogP4.48
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-bromo-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide
CID 59161198
N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 57479604
N-[9-[(3-fluorophenyl)methyl]-6-methoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 68528189
methyl (6R)-9-[(3-fluorophenyl)methyl]-6-(2-methylpropanoylamino)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57431679
N-[9-[(3-fluorophenyl)methyl]-6,7-dihydroxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 71220184
N-[9-[(3-fluorophenyl)methyl]-6-propoxy-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 59161273
(4-nitrophenyl) N-[6-cyano-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-3-yl]carbamate
CID 57431674
N-[9-[(3-fluorophenyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 67196850
N-[[6-amino-9-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazol-3-yl]methylidene]hydroxylamine
CID 161277789
2-[(3R)-6-fluoro-3-[(2-phenylacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024636
(3S)-N-(2,3-dimethylphenyl)-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688230
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide (CID 91526066) is N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide is O=NCc1ccc2c(c1)c1c(n2Cc2cccc(F)c2)CC[C@@H](NC(=O)C2CC2)C1.
What is the InChIKey of N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
The InChIKey is JOTRBIYOFGSZMZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-18-3-1-2-16(10-18)14-28-22-8-4-15(13-26-30)11-20(22)21-12-19(7-9-23(21)28)27-24(29)17-5-6-17/h1-4,8,10-11,17,19H,5-7,9,12-14H2,(H,27,29)/t19-/m1/s1.
What are the key properties of N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide?
N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-9-[(3-fluorophenyl)methyl]-6-(nitrosomethyl)-1,2,3,4-tetrahydrocarbazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91526066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).