CID 140877200

C20H14ClF2N2O3 — CID 140877200

IUPAC—
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)OCc3ccccc3)cc([NH])c2F)c1F
InChIInChI=1S/C20H14ClF2N2O3/c1-27-19-13(21)8-7-12(16(19)22)18-17(23)14(24)9-15(25-18)20(26)28-10-11-5-3-2-4-6-11/h2-9,24H,10H2,1H3
InChIKeyHRRZRHPIJZPBTN-UHFFFAOYSA-N
MW403.79 g/mol
LogP4.96
Rot. Bonds5

About CID 140877200

CID 140877200 (PubChem CID 140877200) has the molecular formula C20H14ClF2N2O3 and a molecular weight of 403.79 g/mol.

Molecular Properties

Compound NameCID 140877200
PubChem CID140877200
Molecular FormulaC20H14ClF2N2O3
Molecular Weight403.79 g/mol
Exact Mass403.07
IUPAC Name—
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)OCc3ccccc3)cc([NH])c2F)c1F
InChIInChI=1S/C20H14ClF2N2O3/c1-27-19-13(21)8-7-12(16(19)22)18-17(23)14(24)9-15(25-18)20(26)28-10-11-5-3-2-4-6-11/h2-9,24H,10H2,1H3
InChIKeyHRRZRHPIJZPBTN-UHFFFAOYSA-N
XLogP4.96
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 140877200 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

benzyl 4-amino-3-chloro-6-(4-chloro-3-ethoxy-2-fluorophenyl)-5-fluoropyridine-2-carboxylate
CID 57412075
[4-(trifluoromethyl)phenyl]methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
CID 88857410
benzyl 5-chloro-3-fluoro-2-methoxybenzoate
CID 170068005
benzyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)-5-ethenyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxylate
CID 67496252
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
benzyl 2-chloro-6-methoxypyridine-4-carboxylate
CID 172647187
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
benzyl 3-chloro-5,6-difluoro-4-methylpyridine-2-carboxylate
CID 146489593
benzyl 3,5-dichloro-2-(2-fluorophenyl)-7-methyl-1,6-naphthyridine-8-carboxylate
CID 146234930
(4-acetyloxyphenyl)methyl 6-amino-5-chloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylate
CID 146267550
methyl 4-chloro-8-fluoro-6-phenylmethoxyquinoline-2-carboxylate
CID 138584470
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
CID 155064884

Frequently Asked Questions

What is the IUPAC name of CID 140877200?
The IUPAC name of CID 140877200 (CID 140877200) is not available.
What is the SMILES notation for CID 140877200?
The canonical SMILES for CID 140877200 is COc1c(Cl)ccc(-c2nc(C(=O)OCc3ccccc3)cc([NH])c2F)c1F.
What is the InChIKey of CID 140877200?
The InChIKey is HRRZRHPIJZPBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N2O3/c1-27-19-13(21)8-7-12(16(19)22)18-17(23)14(24)9-15(25-18)20(26)28-10-11-5-3-2-4-6-11/h2-9,24H,10H2,1H3.
What are the key properties of CID 140877200?
CID 140877200 has a molecular weight of 403.79 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140877200 is sourced from PubChem (CID 140877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).