N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide

C23H17ClN2O2 — CID 69056503

IUPACN-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Oc3ccccc3)cc2)c[nH]1
InChIInChI=1S/C23H17ClN2O2/c24-18-8-10-19(11-9-18)26-23(27)22-14-17(15-25-22)16-6-12-21(13-7-16)28-20-4-2-1-3-5-20/h1-15,25H,(H,26,27)
InChIKeyWTAGLWLJUZHZCU-UHFFFAOYSA-N
MW388.85 g/mol
LogP6.38
Rot. Bonds5

About N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide

N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 69056503) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID69056503
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC NameN-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Oc3ccccc3)cc2)c[nH]1
InChIInChI=1S/C23H17ClN2O2/c24-18-8-10-19(11-9-18)26-23(27)22-14-17(15-25-22)16-6-12-21(13-7-16)28-20-4-2-1-3-5-20/h1-15,25H,(H,26,27)
InChIKeyWTAGLWLJUZHZCU-UHFFFAOYSA-N
XLogP6.38
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate
CID 67772888
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
[4-(4-phenoxyphenyl)-1H-pyrrol-2-yl] N-(4-pyridin-4-yloxyphenyl)carbamate
CID 67775336
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
1-(4-chlorophenyl)-3-[(4-phenoxybenzoyl)amino]thiourea
CID 9469078
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030449
4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 166218692
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide (CID 69056503) is N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Oc3ccccc3)cc2)c[nH]1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WTAGLWLJUZHZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-18-8-10-19(11-9-18)26-23(27)22-14-17(15-25-22)16-6-12-21(13-7-16)28-20-4-2-1-3-5-20/h1-15,25H,(H,26,27).
What are the key properties of N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide?
N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-phenoxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 69056503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).