N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide

C19H22Cl2N2O3S — CID 123145328

IUPACN-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
SMILESCNc1ccc(CCC(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1.O=S=O
InChIInChI=1S/C19H22Cl2N2O.O2S/c1-22-16-8-4-14(5-9-16)7-11-19(24)23-12-2-3-15-6-10-17(20)18(21)13-15;1-3-2/h4-6,8-10,13,22H,2-3,7,11-12H2,1H3,(H,23,24);
InChIKeyOISKOTKHMXMXRY-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.05
Rot. Bonds8

About N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide

N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide (PubChem CID 123145328) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
PubChem CID123145328
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC NameN-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
SMILESCNc1ccc(CCC(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1.O=S=O
InChIInChI=1S/C19H22Cl2N2O.O2S/c1-22-16-8-4-14(5-9-16)7-11-19(24)23-12-2-3-15-6-10-17(20)18(21)13-15;1-3-2/h4-6,8-10,13,22H,2-3,7,11-12H2,1H3,(H,23,24);
InChIKeyOISKOTKHMXMXRY-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
4-[2-[3-(3,4-dichlorophenyl)propylamino]ethoxy]-N-methylaniline;sulfur dioxide
CID 160916678
3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
CID 100597497
3-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-phenylpropyl)propanamide
CID 8799270
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-[(4-tert-butylphenyl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 68937415
N-(2-amino-2-methylpropyl)-4-(3,4-dichlorophenyl)butanamide
CID 119628605

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide (CID 123145328) is N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide is CNc1ccc(CCC(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1.O=S=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide?
The InChIKey is OISKOTKHMXMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O.O2S/c1-22-16-8-4-14(5-9-16)7-11-19(24)23-12-2-3-15-6-10-17(20)18(21)13-15;1-3-2/h4-6,8-10,13,22H,2-3,7,11-12H2,1H3,(H,23,24);.
What are the key properties of N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide?
N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide has a molecular weight of 429.37 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide is sourced from PubChem (CID 123145328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).