N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide

C16H17FN2O2 — CID 62057932

IUPACN-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(N)c2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-19(10-11-4-3-5-13(18)8-11)16(20)12-6-7-15(21-2)14(17)9-12/h3-9H,10,18H2,1-2H3
InChIKeyIGRMNQWXFSDCMU-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.69
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide

N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 62057932) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
PubChem CID62057932
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2cccc(N)c2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-19(10-11-4-3-5-13(18)8-11)16(20)12-6-7-15(21-2)14(17)9-12/h3-9H,10,18H2,1-2H3
InChIKeyIGRMNQWXFSDCMU-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

N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 17447067
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide (CID 62057932) is N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2cccc(N)c2)cc1F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is IGRMNQWXFSDCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19(10-11-4-3-5-13(18)8-11)16(20)12-6-7-15(21-2)14(17)9-12/h3-9H,10,18H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide?
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-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 N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 62057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).