N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide

C11H8ClFN2O — CID 110691150

IUPACN-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc[nH]c1
InChIInChI=1S/C11H8ClFN2O/c12-9-5-8(1-2-10(9)13)15-11(16)7-3-4-14-6-7/h1-6,14H,(H,15,16)
InChIKeyDZIRJNNEULJPOY-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.06
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 110691150) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID110691150
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc[nH]c1
InChIInChI=1S/C11H8ClFN2O/c12-9-5-8(1-2-10(9)13)15-11(16)7-3-4-14-6-7/h1-6,14H,(H,15,16)
InChIKeyDZIRJNNEULJPOY-UHFFFAOYSA-N
XLogP3.06
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
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N-(3-chloro-4-fluorophenyl)-3-(1H-pyrrol-3-ylmethylamino)benzamide
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4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
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4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
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N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
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N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide (CID 110691150) is N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc[nH]c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is DZIRJNNEULJPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-9-5-8(1-2-10(9)13)15-11(16)7-3-4-14-6-7/h1-6,14H,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 238.65 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110691150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).