2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide

C16H16ClFN2O — CID 62979803

IUPAC2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C16H16ClFN2O/c1-10(11-6-8-12(17)9-7-11)20(2)16(21)13-4-3-5-14(18)15(13)19/h3-10H,19H2,1-2H3
InChIKeyBYNXJMYEQBSFIQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.89
Rot. Bonds3

About 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide

2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide (PubChem CID 62979803) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
PubChem CID62979803
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)c1cccc(F)c1N
InChIInChI=1S/C16H16ClFN2O/c1-10(11-6-8-12(17)9-7-11)20(2)16(21)13-4-3-5-14(18)15(13)19/h3-10H,19H2,1-2H3
InChIKeyBYNXJMYEQBSFIQ-UHFFFAOYSA-N
XLogP3.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
2-amino-4-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 79703626
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(2-fluorophenyl)ethanone
CID 62980074
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
2-bromo-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylbenzamide
CID 107982449
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928613
4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123402
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide (CID 62979803) is 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide is CC(c1ccc(Cl)cc1)N(C)C(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide?
The InChIKey is BYNXJMYEQBSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(11-6-8-12(17)9-7-11)20(2)16(21)13-4-3-5-14(18)15(13)19/h3-10H,19H2,1-2H3.
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide?
2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 62979803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).