N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C23H23FN2O — CID 18206397

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCC3)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H23FN2O/c24-17-8-5-15(6-9-17)14-26(18-10-11-18)23(27)16-7-12-22-20(13-16)19-3-1-2-4-21(19)25-22/h5-9,12-13,18,25H,1-4,10-11,14H2
InChIKeyKLLDUPCWSABAAC-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.99
Rot. Bonds4

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 18206397) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID18206397
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCC3)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H23FN2O/c24-17-8-5-15(6-9-17)14-26(18-10-11-18)23(27)16-7-12-22-20(13-16)19-3-1-2-4-21(19)25-22/h5-9,12-13,18,25H,1-4,10-11,14H2
InChIKeyKLLDUPCWSABAAC-UHFFFAOYSA-N
XLogP4.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.99
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-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52528292
N-methyl-N-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71942745
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 25397465
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-[2-oxo-2-[[(3S)-oxolan-3-yl]amino]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 68909734
N-cyclopentyl-N-[(3-fluorophenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 138998904
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 167782754
(2R)-2-(3,4-difluorobenzoyl)-3-oxo-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 98472758
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 18206397) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is KLLDUPCWSABAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-17-8-5-15(6-9-17)14-26(18-10-11-18)23(27)16-7-12-22-20(13-16)19-3-1-2-4-21(19)25-22/h5-9,12-13,18,25H,1-4,10-11,14H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 18206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).