3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

C16H17FN2O2 — CID 61115963

IUPAC3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)12-6-7-14(17)15(18)9-12/h3-9H,10,18H2,1-2H3
InChIKeyKLVFWJJPPCHLAC-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.69
Rot. Bonds4

About 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide

3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 61115963) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID61115963
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)12-6-7-14(17)15(18)9-12/h3-9H,10,18H2,1-2H3
InChIKeyKLVFWJJPPCHLAC-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide (CID 61115963) is 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2ccc(F)c(N)c2)c1.
What is the InChIKey of 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is KLVFWJJPPCHLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(10-11-4-3-5-13(8-11)21-2)16(20)12-6-7-14(17)15(18)9-12/h3-9H,10,18H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide?
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 61115963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).