2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide

C16H15ClFNO — CID 39398782

IUPAC2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C(=O)CCl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-12-6-2-3-7-13(12)11-19(16(20)10-17)15-9-5-4-8-14(15)18/h2-9H,10-11H2,1H3
InChIKeyPEFKLPWLWZTGGV-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.91
Rot. Bonds4

About 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide

2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 39398782) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID39398782
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CN(C(=O)CCl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-12-6-2-3-7-13(12)11-19(16(20)10-17)15-9-5-4-8-14(15)18/h2-9H,10-11H2,1H3
InChIKeyPEFKLPWLWZTGGV-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloroacetyl)-[(2-methylphenyl)methyl]amino]acetic acid
CID 166431920
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39380130
2-chloro-N-hydroxy-N-(2-methylphenyl)acetamide
CID 134890340
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
CID 86145134
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate
CID 23275207
2-chloro-N-(2,3-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425799
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide (CID 39398782) is 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CN(C(=O)CCl)c1ccccc1F.
What is the InChIKey of 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is PEFKLPWLWZTGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-12-6-2-3-7-13(12)11-19(16(20)10-17)15-9-5-4-8-14(15)18/h2-9H,10-11H2,1H3.
What are the key properties of 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide?
2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 291.75 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 39398782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).