N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide

C19H23ClN2O — CID 109019632

IUPACN-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O/c1-15-4-2-6-17(12-15)14-21-10-9-19(23)22-11-8-16-5-3-7-18(20)13-16/h2-7,12-13,21H,8-11,14H2,1H3,(H,22,23)
InChIKeyAKUSZGCPIBBJKR-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.49
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide

N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019632) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019632
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O/c1-15-4-2-6-17(12-15)14-21-10-9-19(23)22-11-8-16-5-3-7-18(20)13-16/h2-7,12-13,21H,8-11,14H2,1H3,(H,22,23)
InChIKeyAKUSZGCPIBBJKR-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.49
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-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide (CID 109019632) is N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is AKUSZGCPIBBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-15-4-2-6-17(12-15)14-21-10-9-19(23)22-11-8-16-5-3-7-18(20)13-16/h2-7,12-13,21H,8-11,14H2,1H3,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 330.86 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).