N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide

C17H15F2N5O — CID 75520223

IUPACN-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ncn[nH]1)Nc1ccc(F)cc1Nc1ccccc1F
InChIInChI=1S/C17H15F2N5O/c18-11-5-6-14(23-17(25)8-7-16-20-10-21-24-16)15(9-11)22-13-4-2-1-3-12(13)19/h1-6,9-10,22H,7-8H2,(H,23,25)(H,20,21,24)
InChIKeyLVGHCQSMKQXVSQ-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.40
Rot. Bonds6

About N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide

N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 75520223) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID75520223
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ncn[nH]1)Nc1ccc(F)cc1Nc1ccccc1F
InChIInChI=1S/C17H15F2N5O/c18-11-5-6-14(23-17(25)8-7-16-20-10-21-24-16)15(9-11)22-13-4-2-1-3-12(13)19/h1-6,9-10,22H,7-8H2,(H,23,25)(H,20,21,24)
InChIKeyLVGHCQSMKQXVSQ-UHFFFAOYSA-N
XLogP3.40
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-methylpropan-2-yl)oxy]phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 126780843
N-(2-propoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 99818406
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
2-bromo-5-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64545931
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
N-(2-fluorophenyl)butanamide
CID 849021
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75520222
3-(2-bromo-5-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 75503635

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide (CID 75520223) is N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1ncn[nH]1)Nc1ccc(F)cc1Nc1ccccc1F.
What is the InChIKey of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is LVGHCQSMKQXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-11-5-6-14(23-17(25)8-7-16-20-10-21-24-16)15(9-11)22-13-4-2-1-3-12(13)19/h1-6,9-10,22H,7-8H2,(H,23,25)(H,20,21,24).
What are the key properties of N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 343.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2-fluoroanilino)phenyl]-3-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 75520223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).