CID 162331827

C17H12Cl2F2KN2O2 — CID 162331827

IUPAC—
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c2cc(OC(=O)C(F)F)ccc12.[K]
InChIInChI=1S/C17H12Cl2F2N2O2.K/c1-9-11-6-5-10(25-17(24)16(20)21)7-15(11)23(22-9)8-12-13(18)3-2-4-14(12)19;/h2-7,16H,8H2,1H3;
InChIKeyRHXNYUQHNKHPCT-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.49
Rot. Bonds4

About CID 162331827

CID 162331827 (PubChem CID 162331827) has the molecular formula C17H12Cl2F2KN2O2 and a molecular weight of 424.30 g/mol.

Molecular Properties

Compound NameCID 162331827
PubChem CID162331827
Molecular FormulaC17H12Cl2F2KN2O2
Molecular Weight424.30 g/mol
Exact Mass422.99
IUPAC Name—
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c2cc(OC(=O)C(F)F)ccc12.[K]
InChIInChI=1S/C17H12Cl2F2N2O2.K/c1-9-11-6-5-10(25-17(24)16(20)21)7-15(11)23(22-9)8-12-13(18)3-2-4-14(12)19;/h2-7,16H,8H2,1H3;
InChIKeyRHXNYUQHNKHPCT-UHFFFAOYSA-N
XLogP4.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 162331827 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-cyano-6-methylphenyl)methyl]-3-(hydroxymethyl)indazol-6-yl] 2,2-difluoroacetate
CID 135384414
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
[[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2H-tetrazol-5-yl)methyl] acetate
CID 118120943
tert-butyl N-[[2-[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]acetyl]amino]carbamate
CID 118237099
tert-butyl 2-[1-[(2-chloro-6-methylphenyl)methyl]-3-methylindazol-6-yl]acetate
CID 118215931
[2-[1-[(2-chloro-6-cyanophenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroethyl] acetate
CID 158063796
6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole
CID 118105222
(2-amino-2-oxoethyl) 1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2626404
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62727450
2-[1-[(2,6-dichlorophenyl)methyl]-3-(trifluoromethyl)indazol-6-yl]-2,2-difluoroacetic acid
CID 118105305
potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate
CID 118105192
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroacetamide
CID 19337687

Frequently Asked Questions

What is the IUPAC name of CID 162331827?
The IUPAC name of CID 162331827 (CID 162331827) is not available.
What is the SMILES notation for CID 162331827?
The canonical SMILES for CID 162331827 is Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(OC(=O)C(F)F)ccc12.[K].
What is the InChIKey of CID 162331827?
The InChIKey is RHXNYUQHNKHPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N2O2.K/c1-9-11-6-5-10(25-17(24)16(20)21)7-15(11)23(22-9)8-12-13(18)3-2-4-14(12)19;/h2-7,16H,8H2,1H3;.
What are the key properties of CID 162331827?
CID 162331827 has a molecular weight of 424.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162331827 is sourced from PubChem (CID 162331827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).