N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide

C19H22Cl2N2O — CID 22636687

IUPACN-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide
SMILESCN(CCC(CNC=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C19H22Cl2N2O/c1-23(13-15-5-3-2-4-6-15)10-9-17(12-22-14-24)16-7-8-18(20)19(21)11-16/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyPDHAJRCZAFSJAB-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.35
Rot. Bonds9

About N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide

N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide (PubChem CID 22636687) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide
PubChem CID22636687
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC NameN-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide
SMILESCN(CCC(CNC=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C19H22Cl2N2O/c1-23(13-15-5-3-2-4-6-15)10-9-17(12-22-14-24)16-7-8-18(20)19(21)11-16/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyPDHAJRCZAFSJAB-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide (CID 22636687) is N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide is CN(CCC(CNC=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide?
The InChIKey is PDHAJRCZAFSJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-23(13-15-5-3-2-4-6-15)10-9-17(12-22-14-24)16-7-8-18(20)19(21)11-16/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide?
N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide has a molecular weight of 365.30 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide is sourced from PubChem (CID 22636687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).