4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline

C19H17Cl2N3 — CID 155527589

IUPAC4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESClc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C19H17Cl2N3/c20-15-2-7-17(8-3-15)22-11-14-1-6-19(23-12-14)13-24-18-9-4-16(21)5-10-18/h1-10,12,22,24H,11,13H2
InChIKeyRLLUDDMITSNLTD-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.61
Rot. Bonds6

About 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline

4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline (PubChem CID 155527589) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline
PubChem CID155527589
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESClc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C19H17Cl2N3/c20-15-2-7-17(8-3-15)22-11-14-1-6-19(23-12-14)13-24-18-9-4-16(21)5-10-18/h1-10,12,22,24H,11,13H2
InChIKeyRLLUDDMITSNLTD-UHFFFAOYSA-N
XLogP5.61
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3676263
CID 3676263
CID 2804511
CID 2804511
CID 2804545
CID 2804545
CID 134132646
CID 134132646
CID 6861891
CID 6861891
CID 1473522
CID 1473522
CID 16237809
CID 16237809
CID 511482
CID 511482
CID 3758243
CID 3758243
CID 4343451
CID 4343451
CID 9648727
CID 9648727
CID 9978428
CID 9978428

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline (CID 155527589) is 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline is Clc1ccc(NCc2ccc(CNc3ccc(Cl)cc3)nc2)cc1.
What is the InChIKey of 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline?
The InChIKey is RLLUDDMITSNLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c20-15-2-7-17(8-3-15)22-11-14-1-6-19(23-12-14)13-24-18-9-4-16(21)5-10-18/h1-10,12,22,24H,11,13H2.
What are the key properties of 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline?
4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline has a molecular weight of 358.27 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[6-[(4-chloroanilino)methyl]-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 155527589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).