N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide

C18H14FN3O3 — CID 143609154

IUPACN-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1c[nH]cc1C(=O)Nc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C18H14FN3O3/c19-11-5-7-12(8-6-11)21-18(25)14-9-20-10-15(14)22-17(24)13-3-1-2-4-16(13)23/h1-10,20,23H,(H,21,25)(H,22,24)
InChIKeyDNTVMQVWFKPFPH-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.36
Rot. Bonds4

About N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide

N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide (PubChem CID 143609154) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide
PubChem CID143609154
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC NameN-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1c[nH]cc1C(=O)Nc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C18H14FN3O3/c19-11-5-7-12(8-6-11)21-18(25)14-9-20-10-15(14)22-17(24)13-3-1-2-4-16(13)23/h1-10,20,23H,(H,21,25)(H,22,24)
InChIKeyDNTVMQVWFKPFPH-UHFFFAOYSA-N
XLogP3.36
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(pyridin-3-yl)benzamide
CID 578240
4-(2-fluorobenzoyl)-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 49798329
4-(2,4-difluorobenzoyl)-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 49798332
2-hydroxy-N-(pyridin-4-yl)benzamide
CID 578630
4-fluoro-2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 149856188
5-fluoro-2-hydroxy-N-(2-pyridylmethyl)benzamide
CID 71591224
4-[2-fluoro-4-(trifluoromethyl)benzoyl]-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 49798330
2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 71980541
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2-hydroxy-N-(1H-indol-6-yl)benzamide
CID 156019309
2-fluoro-6-hydroxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 177653726
(2-hydroxyphenyl)-(5-pyridin-2-yl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 17479170

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide (CID 143609154) is N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide is O=C(Nc1c[nH]cc1C(=O)Nc1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide?
The InChIKey is DNTVMQVWFKPFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-11-5-7-12(8-6-11)21-18(25)14-9-20-10-15(14)22-17(24)13-3-1-2-4-16(13)23/h1-10,20,23H,(H,21,25)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide?
N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(2-hydroxybenzoyl)amino]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 143609154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).