N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

C19H17F3N4O — CID 24661939

IUPACN-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1nnc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C19H17F3N4O/c1-12-15-4-2-3-5-16(15)17(26-25-12)23-10-11-24-18(27)13-6-8-14(9-7-13)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyDYOCEVUBWHLEKM-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 24661939) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID24661939
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESCc1nnc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C19H17F3N4O/c1-12-15-4-2-3-5-16(15)17(26-25-12)23-10-11-24-18(27)13-6-8-14(9-7-13)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyDYOCEVUBWHLEKM-UHFFFAOYSA-N
XLogP3.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 50947431
2,3-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]quinoxaline-6-carboxamide
CID 108542144
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186
2-[(4-methylphthalazin-1-yl)amino]acetic acid
CID 43419809
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
2-hydroxy-3-methyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 86921324
N-[2-[(7-chloro-2-phenylquinazolin-4-yl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 42809231
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
4-oxo-3-propan-2-yl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]phthalazine-1-carboxamide
CID 46551291
N-[2-[2-(hydroxymethyl)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 20533940
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 24661939) is N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is Cc1nnc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is DYOCEVUBWHLEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-15-4-2-3-5-16(15)17(26-25-12)23-10-11-24-18(27)13-6-8-14(9-7-13)19(20,21)22/h2-9H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 374.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphthalazin-1-yl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 24661939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).