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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Related Compounds

N-[2-(3,4-dichlorophenyl)-4-(methylamino)butyl]formamide
CID 22636685
3-[[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-methylamino]propanoic acid
CID 110830643
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]formamide
CID 53231447
3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine
CID 166076955
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
N-benzyl-2-(3,4-dichlorophenyl)-6-hydroxy-N-methylhexanamide
CID 139707525
N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591895
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,4-dichlorophenyl)-4-[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]butyl]urea
CID 23567438
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397
N'-benzyl-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613091
(2S)-N-benzyl-2-(3,4-dichlorophenyl)-N-methyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutan-1-amine
CID 102016151

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).