N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide

C17H18Cl2N2O — CID 109019724

IUPACN-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O/c1-12-3-2-4-13(9-12)11-20-8-7-17(22)21-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyJUDTVAVPFFAAAB-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.42
Rot. Bonds6

About N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide

N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019724) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019724
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O/c1-12-3-2-4-13(9-12)11-20-8-7-17(22)21-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22)
InChIKeyJUDTVAVPFFAAAB-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109020057
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
1-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 108866438
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide (CID 109019724) is N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is JUDTVAVPFFAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12-3-2-4-13(9-12)11-20-8-7-17(22)21-14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 337.25 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).