N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide

C16H17FN2O — CID 63209286

IUPACN-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)c2ccc(CN)cc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-9-13(5-8-15(11)17)16(20)19(2)14-6-3-12(10-18)4-7-14/h3-9H,10,18H2,1-2H3
InChIKeyBWMZYLRCSNMKBU-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.87
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide

N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide (PubChem CID 63209286) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
PubChem CID63209286
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)c2ccc(CN)cc2)ccc1F
InChIInChI=1S/C16H17FN2O/c1-11-9-13(5-8-15(11)17)16(20)19(2)14-6-3-12(10-18)4-7-14/h3-9H,10,18H2,1-2H3
InChIKeyBWMZYLRCSNMKBU-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
N-[4-(aminomethyl)phenyl]-4-bromo-3-fluoro-N-methylbenzamide
CID 167871653
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
CID 28755656
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
4-(aminomethyl)-N,3-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide;ethane
CID 143188892
4-(aminomethyl)-N-(2,5-dimethylphenyl)-N-methylbenzamide
CID 115161228
N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949854
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide (CID 63209286) is N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)c2ccc(CN)cc2)ccc1F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide?
The InChIKey is BWMZYLRCSNMKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-9-13(5-8-15(11)17)16(20)19(2)14-6-3-12(10-18)4-7-14/h3-9H,10,18H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide?
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 63209286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).