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

C17H19ClN2O — CID 109019663

IUPACN-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c1-13-4-2-5-14(10-13)12-19-9-8-17(21)20-16-7-3-6-15(18)11-16/h2-7,10-11,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyCWXAIJNYBFOENB-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.77
Rot. Bonds6

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

N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109019663) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109019663
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c1-13-4-2-5-14(10-13)12-19-9-8-17(21)20-16-7-3-6-15(18)11-16/h2-7,10-11,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyCWXAIJNYBFOENB-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.77
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-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
N-(3-acetylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019689
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
N-(4-ethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019679
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-[(3-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 109019653

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide (CID 109019663) is N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is CWXAIJNYBFOENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-4-2-5-14(10-13)12-19-9-8-17(21)20-16-7-3-6-15(18)11-16/h2-7,10-11,19H,8-9,12H2,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide?
N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 302.81 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).