1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide

C21H20F2N2O2 — CID 58899646

IUPAC1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide
SMILESCCCNC(=O)c1ccc2c(-c3ccc(F)cc3OC)c(F)ccc2c1N
InChIInChI=1S/C21H20F2N2O2/c1-3-10-25-21(26)16-7-6-13-14(20(16)24)8-9-17(23)19(13)15-5-4-12(22)11-18(15)27-2/h4-9,11H,3,10,24H2,1-2H3,(H,25,26)
InChIKeyVMXTYQDTEFITMB-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.52
Rot. Bonds5

About 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide

1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide (PubChem CID 58899646) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide
PubChem CID58899646
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide
SMILESCCCNC(=O)c1ccc2c(-c3ccc(F)cc3OC)c(F)ccc2c1N
InChIInChI=1S/C21H20F2N2O2/c1-3-10-25-21(26)16-7-6-13-14(20(16)24)8-9-17(23)19(13)15-5-4-12(22)11-18(15)27-2/h4-9,11H,3,10,24H2,1-2H3,(H,25,26)
InChIKeyVMXTYQDTEFITMB-UHFFFAOYSA-N
XLogP4.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide 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-amino-7-fluoro-8-(4-fluoro-2-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 53240496
2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
CID 42750246
4-amino-7-fluoro-8-(4-fluoro-3-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 174558161
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
(E)-2,3-diamino-3-[2-amino-4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-propylprop-2-enamide
CID 143493430
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
2,5-difluoro-N-undecylbenzamide
CID 91717430
2-amino-5-methoxy-N-propylbenzamide
CID 60954595

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide?
The IUPAC name of 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide (CID 58899646) is 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide.
What is the SMILES notation for 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide?
The canonical SMILES for 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide is CCCNC(=O)c1ccc2c(-c3ccc(F)cc3OC)c(F)ccc2c1N.
What is the InChIKey of 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide?
The InChIKey is VMXTYQDTEFITMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-3-10-25-21(26)16-7-6-13-14(20(16)24)8-9-17(23)19(13)15-5-4-12(22)11-18(15)27-2/h4-9,11H,3,10,24H2,1-2H3,(H,25,26).
What are the key properties of 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide?
1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-fluoro-5-(4-fluoro-2-methoxyphenyl)-N-propylnaphthalene-2-carboxamide is sourced from PubChem (CID 58899646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).