2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide

C23H23Cl3N2O2 — CID 4684929

IUPAC2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(Cc1cccn1Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl3N2O2/c1-30-12-4-11-28(23(29)21-9-8-19(25)14-22(21)26)16-20-7-3-10-27(20)15-17-5-2-6-18(24)13-17/h2-3,5-10,13-14H,4,11-12,15-16H2,1H3
InChIKeyXCDMRRAFWFEVEY-UHFFFAOYSA-N
MW465.81 g/mol
LogP6.18
Rot. Bonds9

About 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide

2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide (PubChem CID 4684929) has the molecular formula C23H23Cl3N2O2 and a molecular weight of 465.81 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
PubChem CID4684929
Molecular FormulaC23H23Cl3N2O2
Molecular Weight465.81 g/mol
Exact Mass464.08
IUPAC Name2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(Cc1cccn1Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H23Cl3N2O2/c1-30-12-4-11-28(23(29)21-9-8-19(25)14-22(21)26)16-20-7-3-10-27(20)15-17-5-2-6-18(24)13-17/h2-3,5-10,13-14H,4,11-12,15-16H2,1H3
InChIKeyXCDMRRAFWFEVEY-UHFFFAOYSA-N
XLogP6.18
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.81
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-2,4-dichloro-N-pentylbenzamide
CID 42771289
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-ethyl-N-(3-methoxypropyl)hexanamide
CID 4042735
(3R)-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)-3,5,5-trimethylhexanamide
CID 7499177
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methyl-N-pentylbenzamide
CID 3358975
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2,6-dimethoxy-N-propylbenzamide
CID 3546086
N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-chloro-N-(3-methoxypropyl)benzamide
CID 5240954
4-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 4679079
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 5095440
3-chloro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3448969
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxy-N-(3-methoxypropyl)benzamide
CID 3275693
2-bromo-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 3472822
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 42763924

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide (CID 4684929) is 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide is COCCCN(Cc1cccn1Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is XCDMRRAFWFEVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl3N2O2/c1-30-12-4-11-28(23(29)21-9-8-19(25)14-22(21)26)16-20-7-3-10-27(20)15-17-5-2-6-18(24)13-17/h2-3,5-10,13-14H,4,11-12,15-16H2,1H3.
What are the key properties of 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide?
2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 465.81 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 4684929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).