N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide

C18H14FN3O — CID 175848692

IUPACN-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccncc2)cc1F)c1ccccc1
InChIInChI=1S/C18H14FN3O/c19-16-12-15(21-14-8-10-20-11-9-14)6-7-17(16)22-18(23)13-4-2-1-3-5-13/h1-12H,(H,20,21)(H,22,23)
InChIKeyXMFJJNQISKJSND-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.22
Rot. Bonds4

About N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide

N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide (PubChem CID 175848692) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide
PubChem CID175848692
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC NameN-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccncc2)cc1F)c1ccccc1
InChIInChI=1S/C18H14FN3O/c19-16-12-15(21-14-8-10-20-11-9-14)6-7-17(16)22-18(23)13-4-2-1-3-5-13/h1-12H,(H,20,21)(H,22,23)
InChIKeyXMFJJNQISKJSND-UHFFFAOYSA-N
XLogP4.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-[2-fluoro-5-(pyridin-4-ylamino)phenyl]-4-[(7-isocyanonaphthalen-1-yl)amino]benzamide
CID 169055275
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide?
The IUPAC name of N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide (CID 175848692) is N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide.
What is the SMILES notation for N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide?
The canonical SMILES for N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide is O=C(Nc1ccc(Nc2ccncc2)cc1F)c1ccccc1.
What is the InChIKey of N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide?
The InChIKey is XMFJJNQISKJSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-16-12-15(21-14-8-10-20-11-9-14)6-7-17(16)22-18(23)13-4-2-1-3-5-13/h1-12H,(H,20,21)(H,22,23).
What are the key properties of N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide?
N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide has a molecular weight of 307.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(pyridin-4-ylamino)phenyl]benzamide is sourced from PubChem (CID 175848692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).