1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea

C16H15ClN2O — CID 67657496

IUPAC1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea
SMILESO=C(NCCCl)Nc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H15ClN2O/c17-8-9-18-16(20)19-15-7-3-6-13-12-5-2-1-4-11(12)10-14(13)15/h1-7H,8-10H2,(H2,18,19,20)
InChIKeyFJKYYFGOKLFRLH-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea

1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea (PubChem CID 67657496) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea
PubChem CID67657496
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea
SMILESO=C(NCCCl)Nc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H15ClN2O/c17-8-9-18-16(20)19-15-7-3-6-13-12-5-2-1-4-11(12)10-14(13)15/h1-7H,8-10H2,(H2,18,19,20)
InChIKeyFJKYYFGOKLFRLH-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea 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

1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
CID 108871425
N-ethyl-9H-fluoren-1-amine
CID 67613408
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9H-fluoren-1-yl)acetamide
CID 69446995
(2S)-2-(9H-fluoren-1-ylamino)butanedioic acid
CID 90023678
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-(2-chloroethyl)-3-[2-(1-methoxyethyl)phenyl]urea
CID 170628856
ethyl N-(9H-fluoren-1-yl)carbamate;phenol;prop-2-enoic acid
CID 174058848
N-(4-bromobutyl)-9H-fluorene-1-carboxamide
CID 121318737
N-[(4-aminophenyl)methyl]-9H-fluoren-1-amine
CID 59230852
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50744738

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea (CID 67657496) is 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea is O=C(NCCCl)Nc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea?
The InChIKey is FJKYYFGOKLFRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-8-9-18-16(20)19-15-7-3-6-13-12-5-2-1-4-11(12)10-14(13)15/h1-7H,8-10H2,(H2,18,19,20).
What are the key properties of 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea?
1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea has a molecular weight of 286.76 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea is sourced from PubChem (CID 67657496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).