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

C16H16ClFN2O — CID 61139880

IUPAC3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(11-4-3-5-13(17)8-11)20(2)16(21)12-6-7-14(18)15(19)9-12/h3-10H,19H2,1-2H3
InChIKeyRZZGWWLSCZGEOB-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.89
Rot. Bonds3

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

3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide (PubChem CID 61139880) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
PubChem CID61139880
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C16H16ClFN2O/c1-10(11-4-3-5-13(17)8-11)20(2)16(21)12-6-7-14(18)15(19)9-12/h3-10H,19H2,1-2H3
InChIKeyRZZGWWLSCZGEOB-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

6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928613
N-[1-(3-chlorophenyl)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 103612228
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
3-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60939530
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 46587835
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide (CID 61139880) is 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is RZZGWWLSCZGEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(11-4-3-5-13(17)8-11)20(2)16(21)12-6-7-14(18)15(19)9-12/h3-10H,19H2,1-2H3.
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide?
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-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 3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 61139880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).