4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide

C19H22F3N3O2 — CID 120586662

IUPAC4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1
InChIInChI=1S/C19H22F3N3O2/c1-27-15(11-23)10-18(26)25-17-9-14(19(20,21)22)7-8-16(17)24-12-13-5-3-2-4-6-13/h2-9,15,24H,10-12,23H2,1H3,(H,25,26)
InChIKeyMTGSNKWZERQNON-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.62
Rot. Bonds8

About 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide

4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide (PubChem CID 120586662) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide
PubChem CID120586662
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1
InChIInChI=1S/C19H22F3N3O2/c1-27-15(11-23)10-18(26)25-17-9-14(19(20,21)22)7-8-16(17)24-12-13-5-3-2-4-6-13/h2-9,15,24H,10-12,23H2,1H3,(H,25,26)
InChIKeyMTGSNKWZERQNON-UHFFFAOYSA-N
XLogP3.62
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide 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-(benzylamino)-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 71854296
4-amino-3-methoxy-N-(4-methyl-2-phenylmethoxyphenyl)butanamide
CID 120588954
ethyl 4-[[2-(benzylamino)-5-(trifluoromethyl)phenyl]carbamothioylamino]piperidine-1-carboxylate
CID 23345169
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
2-amino-N-[2-(benzylamino)-5-methylphenyl]acetamide
CID 71496221
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
CID 120592787
4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
CID 120590312
N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119677904
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide (CID 120586662) is 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1.
What is the InChIKey of 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide?
The InChIKey is MTGSNKWZERQNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-27-15(11-23)10-18(26)25-17-9-14(19(20,21)22)7-8-16(17)24-12-13-5-3-2-4-6-13/h2-9,15,24H,10-12,23H2,1H3,(H,25,26).
What are the key properties of 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide?
4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide has a molecular weight of 381.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(benzylamino)-5-(trifluoromethyl)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120586662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).