N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide

C20H16Cl2N2O2 — CID 166214889

IUPACN-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ccc[nH]1
InChIInChI=1S/C20H16Cl2N2O2/c21-14-4-5-16(22)15(11-14)19(24-20(25)17-2-1-8-23-17)13-3-6-18-12(10-13)7-9-26-18/h1-6,8,10-11,19,23H,7,9H2,(H,24,25)
InChIKeyVWOBFGBPSLBGOH-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.78
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide

N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 166214889) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID166214889
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC NameN-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ccc[nH]1
InChIInChI=1S/C20H16Cl2N2O2/c21-14-4-5-16(22)15(11-14)19(24-20(25)17-2-1-8-23-17)13-3-6-18-12(10-13)7-9-26-18/h1-6,8,10-11,19,23H,7,9H2,(H,24,25)
InChIKeyVWOBFGBPSLBGOH-UHFFFAOYSA-N
XLogP4.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-3,4-difluorobenzamide
CID 166341226
5-benzyl-N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1,3-oxazole-2-carboxamide
CID 167948747
N'-(2,3-dihydro-1-benzofuran-5-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 78851667
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
N-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 97020935
2-(4-chloroanilino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 60995769
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 157294657
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62649347
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
CID 90580722
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide (CID 166214889) is N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide is O=C(NC(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl)c1ccc[nH]1.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VWOBFGBPSLBGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c21-14-4-5-16(22)15(11-14)19(24-20(25)17-2-1-8-23-17)13-3-6-18-12(10-13)7-9-26-18/h1-6,8,10-11,19,23H,7,9H2,(H,24,25).
What are the key properties of N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide?
N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166214889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).