N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide

C19H16F4N4O2 — CID 71159323

IUPACN-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESNCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1-c1ccn[nH]1
InChIInChI=1S/C19H16F4N4O2/c20-15-9-11(1-3-14(15)19(21,22)23)18(28)26-12-2-4-17(29-8-6-24)13(10-12)16-5-7-25-27-16/h1-5,7,9-10H,6,8,24H2,(H,25,27)(H,26,28)
InChIKeySGWFYMONVSEMKZ-UHFFFAOYSA-N
MW408.36 g/mol
LogP3.82
Rot. Bonds6

About N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide

N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 71159323) has the molecular formula C19H16F4N4O2 and a molecular weight of 408.36 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
PubChem CID71159323
Molecular FormulaC19H16F4N4O2
Molecular Weight408.36 g/mol
Exact Mass408.12
IUPAC NameN-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
SMILESNCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1-c1ccn[nH]1
InChIInChI=1S/C19H16F4N4O2/c20-15-9-11(1-3-14(15)19(21,22)23)18(28)26-12-2-4-17(29-8-6-24)13(10-12)16-5-7-25-27-16/h1-5,7,9-10H,6,8,24H2,(H,25,27)(H,26,28)
InChIKeySGWFYMONVSEMKZ-UHFFFAOYSA-N
XLogP3.82
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide 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-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide
CID 71159322
2-[4-[[4-(2-azaniumylethoxy)-3-(4-fluorophenyl)benzoyl]amino]-2-(4-fluorophenyl)phenoxy]ethylazanium dichloride
CID 160740730
4-(2-aminoethoxy)-N-[3-(4-chloro-2-fluorophenyl)phenyl]-3-(4-fluorophenyl)benzamide;hydrochloride
CID 155525382
4-(2-aminoethoxy)-3-(3,4-difluorophenyl)-N-[3-(4-fluorophenyl)phenyl]benzamide;hydrochloride
CID 155527922
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559
N-[4-(ethoxymethyl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 166220547
tert-butyl N-[2-[4-[[4-(2-carbamoyloxyethoxy)-3-(4-fluorophenyl)benzoyl]amino]-2-(4-fluorophenyl)phenoxy]ethyl]carbamate
CID 122623244
ethyl 2-[3-chloro-4-[[5-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]-2-pyridinyl]oxy]phenyl]acetate
CID 70985167
carbamoyl N-[3-fluoro-4-(trifluoromethyl)phenyl]carbamate
CID 87290765
N-[2-(hydroxymethyl)-4-phenylpyrimidin-5-yl]-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118392458
N-(2-methyl-4-phenylpyrimidin-5-yl)-3-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118392512
N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24889856

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide (CID 71159323) is N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide is NCCOc1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1-c1ccn[nH]1.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is SGWFYMONVSEMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2/c20-15-9-11(1-3-14(15)19(21,22)23)18(28)26-12-2-4-17(29-8-6-24)13(10-12)16-5-7-25-27-16/h1-5,7,9-10H,6,8,24H2,(H,25,27)(H,26,28).
What are the key properties of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide?
N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 408.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-3-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 71159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).