1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea

C16H20ClN3O — CID 113096999

IUPAC1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C16H20ClN3O/c1-9(2)18-16(21)19-11-4-6-15-13(8-11)12-7-10(17)3-5-14(12)20-15/h3,5,7,9,11,20H,4,6,8H2,1-2H3,(H2,18,19,21)
InChIKeyRFQSITDXLATXMU-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.39
Rot. Bonds2

About 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea

1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea (PubChem CID 113096999) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
PubChem CID113096999
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1
InChIInChI=1S/C16H20ClN3O/c1-9(2)18-16(21)19-11-4-6-15-13(8-11)12-7-10(17)3-5-14(12)20-15/h3,5,7,9,11,20H,4,6,8H2,1-2H3,(H2,18,19,21)
InChIKeyRFQSITDXLATXMU-UHFFFAOYSA-N
XLogP3.39
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
CID 113096983
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
CID 113096971
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]acetamide
CID 92757868
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 110013443
6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 155680827
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea (CID 113096999) is 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC1CCc2[nH]c3ccc(Cl)cc3c2C1.
What is the InChIKey of 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea?
The InChIKey is RFQSITDXLATXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-9(2)18-16(21)19-11-4-6-15-13(8-11)12-7-10(17)3-5-14(12)20-15/h3,5,7,9,11,20H,4,6,8H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea?
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea has a molecular weight of 305.81 g/mol, XLogP of 3.39, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea is sourced from PubChem (CID 113096999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).