N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide

C17H18ClFN2O — CID 109019338

IUPACN-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-14-6-7-16(19)15(18)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyXYJWBGNCVWEXKG-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.91
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide

N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019338) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019338
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-14-6-7-16(19)15(18)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyXYJWBGNCVWEXKG-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.91
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-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996573
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019394
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
N-(3-chloro-4-fluorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035868
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
N-(3-chloro-4-fluorophenyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023700
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide (CID 109019338) is N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide is Cc1ccccc1CNCCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is XYJWBGNCVWEXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-14-6-7-16(19)15(18)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide has a molecular weight of 320.80 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).