N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline

C17H14Cl2N2 — CID 43733014

IUPACN-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESClc1cccc(Cl)c1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C17H14Cl2N2/c18-16-7-4-8-17(19)15(16)12-20-13-5-3-6-14(11-13)21-9-1-2-10-21/h1-11,20H,12H2
InChIKeyJDXJEWVIKOHGEH-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.40
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline

N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 43733014) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
PubChem CID43733014
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline
SMILESClc1cccc(Cl)c1CNc1cccc(-n2cccc2)c1
InChIInChI=1S/C17H14Cl2N2/c18-16-7-4-8-17(19)15(16)12-20-13-5-3-6-14(11-13)21-9-1-2-10-21/h1-11,20H,12H2
InChIKeyJDXJEWVIKOHGEH-UHFFFAOYSA-N
XLogP5.40
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445705
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
N-(pyridin-3-ylmethyl)-3-pyrrol-1-ylaniline
CID 43732990
N-(2-phenylethyl)-3-pyrrol-1-ylaniline
CID 43732988
N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 62761120
N-[(3-bromofuran-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 106885238
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N-(1H-imidazol-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 54976273
N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43732956
N-[(4-fluoro-2-methylphenyl)methyl]-3-pyrrol-1-ylaniline
CID 63445707
N-(2-methylbutyl)-3-pyrrol-1-ylaniline
CID 43732946
3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
CID 113276536

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline (CID 43733014) is N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline is Clc1cccc(Cl)c1CNc1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is JDXJEWVIKOHGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-16-7-4-8-17(19)15(16)12-20-13-5-3-6-14(11-13)21-9-1-2-10-21/h1-11,20H,12H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline?
N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 317.22 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 43733014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).