3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide

C19H22Cl2N2O — CID 100597497

IUPAC3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
SMILESCN(CCCNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O/c1-23(16-6-3-2-4-7-16)13-5-12-22-19(24)11-9-15-8-10-17(20)18(21)14-15/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,22,24)
InChIKeyHKHABUDBNXMTRE-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.57
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide

3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide (PubChem CID 100597497) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
PubChem CID100597497
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide
SMILESCN(CCCNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H22Cl2N2O/c1-23(16-6-3-2-4-7-16)13-5-12-22-19(24)11-9-15-8-10-17(20)18(21)14-15/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,22,24)
InChIKeyHKHABUDBNXMTRE-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)propanamide
CID 60566428
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
3-(3-bromo-4-methoxyphenyl)-N-[4-(N-methylanilino)butyl]propanamide
CID 60566057
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 31950054
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N-[3-(3,4-dichlorophenyl)propyl]-3-[4-(methylamino)phenyl]propanamide;sulfur dioxide
CID 123145328
N-[3-(3,4-dichlorophenyl)propyl]-1-[3-(N-methylanilino)propyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123837768
N-[3-(N-methylanilino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51305394
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
3-(3,4-dichlorophenyl)-N-[3-(2-propoxyphenyl)propyl]propanamide
CID 100596903
4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide (CID 100597497) is 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide is CN(CCCNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide?
The InChIKey is HKHABUDBNXMTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-23(16-6-3-2-4-7-16)13-5-12-22-19(24)11-9-15-8-10-17(20)18(21)14-15/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,22,24).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide?
3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide has a molecular weight of 365.30 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[3-(N-methylanilino)propyl]propanamide is sourced from PubChem (CID 100597497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).