N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide

C18H17F4N3O3 — CID 175174643

IUPACN-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(NC(=O)CC(F)(F)F)cc1N
InChIInChI=1S/C18H17F4N3O3/c1-28-15-5-3-11(19)6-13(15)17(27)24-9-10-2-4-12(7-14(10)23)25-16(26)8-18(20,21)22/h2-7H,8-9,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyCRJPKRIMPRPXCS-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.24
Rot. Bonds6

About N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide

N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 175174643) has the molecular formula C18H17F4N3O3 and a molecular weight of 399.34 g/mol. Its IUPAC name is N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide
PubChem CID175174643
Molecular FormulaC18H17F4N3O3
Molecular Weight399.34 g/mol
Exact Mass399.12
IUPAC NameN-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(NC(=O)CC(F)(F)F)cc1N
InChIInChI=1S/C18H17F4N3O3/c1-28-15-5-3-11(19)6-13(15)17(27)24-9-10-2-4-12(7-14(10)23)25-16(26)8-18(20,21)22/h2-7H,8-9,23H2,1H3,(H,24,27)(H,25,26)
InChIKeyCRJPKRIMPRPXCS-UHFFFAOYSA-N
XLogP3.24
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide 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

N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 175181598
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55947717
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide (CID 175174643) is N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(NC(=O)CC(F)(F)F)cc1N.
What is the InChIKey of N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is CRJPKRIMPRPXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O3/c1-28-15-5-3-11(19)6-13(15)17(27)24-9-10-2-4-12(7-14(10)23)25-16(26)8-18(20,21)22/h2-7H,8-9,23H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide?
N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 399.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 175174643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).