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

C16H18FN3O — CID 113096809

IUPAC1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
SMILESO=C(NC1CC1)NC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C16H18FN3O/c17-9-1-5-14-12(7-9)13-8-11(4-6-15(13)20-14)19-16(21)18-10-2-3-10/h1,5,7,10-11,20H,2-4,6,8H2,(H2,18,19,21)
InChIKeyNRCIAZDDLQEWTQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.63
Rot. Bonds2

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

1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea (PubChem CID 113096809) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
PubChem CID113096809
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
SMILESO=C(NC1CC1)NC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C16H18FN3O/c17-9-1-5-14-12(7-9)13-8-11(4-6-15(13)20-14)19-16(21)18-10-2-3-10/h1,5,7,10-11,20H,2-4,6,8H2,(H2,18,19,21)
InChIKeyNRCIAZDDLQEWTQ-UHFFFAOYSA-N
XLogP2.63
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.63
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-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
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
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
(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
ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
CID 113097176
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 22611338
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 155680779

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea (CID 113096809) is 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea is O=C(NC1CC1)NC1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The InChIKey is NRCIAZDDLQEWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-9-1-5-14-12(7-9)13-8-11(4-6-15(13)20-14)19-16(21)18-10-2-3-10/h1,5,7,10-11,20H,2-4,6,8H2,(H2,18,19,21).
What are the key properties of 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea has a molecular weight of 287.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea is sourced from PubChem (CID 113096809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).