N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide

C16H17FN2O — CID 63120380

IUPACN-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(N)c2ccccc2)cc1F
InChIInChI=1S/C16H17FN2O/c1-11-7-8-13(9-14(11)17)16(20)19-10-15(18)12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3,(H,19,20)
InChIKeyCPEWUZBIQNGPBN-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.56
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide

N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide (PubChem CID 63120380) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
PubChem CID63120380
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(N)c2ccccc2)cc1F
InChIInChI=1S/C16H17FN2O/c1-11-7-8-13(9-14(11)17)16(20)19-10-15(18)12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3,(H,19,20)
InChIKeyCPEWUZBIQNGPBN-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
N-(2-amino-2-phenylethyl)-4-methylsulfanylbenzamide
CID 79217340
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111343396
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide (CID 63120380) is N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCC(N)c2ccccc2)cc1F.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide?
The InChIKey is CPEWUZBIQNGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-7-8-13(9-14(11)17)16(20)19-10-15(18)12-5-3-2-4-6-12/h2-9,15H,10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide?
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 63120380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).