1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea

C19H24FN3O — CID 113096803

IUPAC1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C19H24FN3O/c20-12-6-8-17-15(10-12)16-11-14(7-9-18(16)23-17)22-19(24)21-13-4-2-1-3-5-13/h6,8,10,13-14,23H,1-5,7,9,11H2,(H2,21,22,24)
InChIKeyFYVSSYJZGAVLCW-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.80
Rot. Bonds2

About 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea

1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea (PubChem CID 113096803) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
PubChem CID113096803
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
SMILESO=C(NC1CCCCC1)NC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C19H24FN3O/c20-12-6-8-17-15(10-12)16-11-14(7-9-18(16)23-17)22-19(24)21-13-4-2-1-3-5-13/h6,8,10,13-14,23H,1-5,7,9,11H2,(H2,21,22,24)
InChIKeyFYVSSYJZGAVLCW-UHFFFAOYSA-N
XLogP3.80
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860
(3S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
CID 97104269
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097125
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
CID 113097176
benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 89384459

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea (CID 113096803) is 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea is O=C(NC1CCCCC1)NC1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The InChIKey is FYVSSYJZGAVLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-12-6-8-17-15(10-12)16-11-14(7-9-18(16)23-17)22-19(24)21-13-4-2-1-3-5-13/h6,8,10,13-14,23H,1-5,7,9,11H2,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea has a molecular weight of 329.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea is sourced from PubChem (CID 113096803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).