N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide

C21H19ClFN3O2 — CID 90757999

IUPACN-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide
SMILESCOc1ccc(CNc2nc(Cl)ccc2NC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H19ClFN3O2/c1-13-3-6-15(11-17(13)23)21(27)25-18-9-10-19(22)26-20(18)24-12-14-4-7-16(28-2)8-5-14/h3-11H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLVHCQHMTBSDOGO-UHFFFAOYSA-N
MW399.85 g/mol
LogP5.06
Rot. Bonds6

About N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide

N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide (PubChem CID 90757999) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide
PubChem CID90757999
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC NameN-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide
SMILESCOc1ccc(CNc2nc(Cl)ccc2NC(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H19ClFN3O2/c1-13-3-6-15(11-17(13)23)21(27)25-18-9-10-19(22)26-20(18)24-12-14-4-7-16(28-2)8-5-14/h3-11H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLVHCQHMTBSDOGO-UHFFFAOYSA-N
XLogP5.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.85
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide 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

3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
6-chloro-N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 10201098
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171310
N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 10133422
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386542
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
N-(2,4-difluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234559
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide (CID 90757999) is N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide is COc1ccc(CNc2nc(Cl)ccc2NC(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide?
The InChIKey is LVHCQHMTBSDOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-13-3-6-15(11-17(13)23)21(27)25-18-9-10-19(22)26-20(18)24-12-14-4-7-16(28-2)8-5-14/h3-11H,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide?
N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide has a molecular weight of 399.85 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 90757999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).