1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea

C14H18ClN3O — CID 113083690

IUPAC1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H18ClN3O/c1-9(2)18-14(19)16-6-5-10-8-17-13-4-3-11(15)7-12(10)13/h3-4,7-9,17H,5-6H2,1-2H3,(H2,16,18,19)
InChIKeyOHLSIFIMZTZVGT-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea (PubChem CID 113083690) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
PubChem CID113083690
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H18ClN3O/c1-9(2)18-14(19)16-6-5-10-8-17-13-4-3-11(15)7-12(10)13/h3-4,7-9,17H,5-6H2,1-2H3,(H2,16,18,19)
InChIKeyOHLSIFIMZTZVGT-UHFFFAOYSA-N
XLogP3.07
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-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

1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
CID 17271856
(2S)-2-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methylsulfanylbutanamide
CID 119280242
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119706636
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea (CID 113083690) is 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is OHLSIFIMZTZVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9(2)18-14(19)16-6-5-10-8-17-13-4-3-11(15)7-12(10)13/h3-4,7-9,17H,5-6H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea?
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 279.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 113083690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).