CID 89144935

C19H24BBrN2O — CID 89144935

IUPAC—
SMILES[B]c1cc(Br)cc2c1c(C(=O)NCC1CCCCCC1)cn2CC
InChIInChI=1S/C19H24BBrN2O/c1-2-23-12-15(18-16(20)9-14(21)10-17(18)23)19(24)22-11-13-7-5-3-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,22,24)
InChIKeyKFERKNPXGZMJQM-UHFFFAOYSA-N
MW387.13 g/mol
LogP3.92
Rot. Bonds4

About CID 89144935

CID 89144935 (PubChem CID 89144935) has the molecular formula C19H24BBrN2O and a molecular weight of 387.13 g/mol.

Molecular Properties

Compound NameCID 89144935
PubChem CID89144935
Molecular FormulaC19H24BBrN2O
Molecular Weight387.13 g/mol
Exact Mass386.12
IUPAC Name—
SMILES[B]c1cc(Br)cc2c1c(C(=O)NCC1CCCCCC1)cn2CC
InChIInChI=1S/C19H24BBrN2O/c1-2-23-12-15(18-16(20)9-14(21)10-17(18)23)19(24)22-11-13-7-5-3-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,22,24)
InChIKeyKFERKNPXGZMJQM-UHFFFAOYSA-N
XLogP3.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 89144935 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

4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011331
4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011456
CID 89150543
CID 89150543
N-(cyclohexylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566300
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
4-bromo-N-(cycloheptylmethyl)-1-(oxetan-3-ylmethyl)indole-3-carboxamide
CID 71077064
6-chloro-N-(cycloheptylmethyl)-4-fluoro-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011385
4-bromo-N-(cycloheptylmethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077090
4-chloro-N-(cycloheptylmethyl)-1-methylpyrrolo[2,3-c]pyridine-3-carboxamide
CID 58011439
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
N-(cyclopropylmethyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 71566629

Frequently Asked Questions

What is the IUPAC name of CID 89144935?
The IUPAC name of CID 89144935 (CID 89144935) is not available.
What is the SMILES notation for CID 89144935?
The canonical SMILES for CID 89144935 is [B]c1cc(Br)cc2c1c(C(=O)NCC1CCCCCC1)cn2CC.
What is the InChIKey of CID 89144935?
The InChIKey is KFERKNPXGZMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BBrN2O/c1-2-23-12-15(18-16(20)9-14(21)10-17(18)23)19(24)22-11-13-7-5-3-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,22,24).
What are the key properties of CID 89144935?
CID 89144935 has a molecular weight of 387.13 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89144935 is sourced from PubChem (CID 89144935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).