N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide

C16H17FN2O — CID 63048072

IUPACN-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C16H17FN2O/c1-10-6-7-13(17)9-15(10)16(20)19-14-5-3-4-12(8-14)11(2)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyQMOLJMAYESILIE-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.41
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide

N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide (PubChem CID 63048072) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
PubChem CID63048072
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1cccc(C(C)N)c1
InChIInChI=1S/C16H17FN2O/c1-10-6-7-13(17)9-15(10)16(20)19-14-5-3-4-12(8-14)11(2)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyQMOLJMAYESILIE-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63047898
N-[3-(1-aminoethyl)phenyl]-2-methylbenzamide
CID 16788845
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
N-[3-(1-aminoethyl)phenyl]-2,3-difluorobenzamide
CID 62650803
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-4-fluorophenyl)urea
CID 61340199
1-[3-(1-aminoethyl)phenyl]-3-(4-fluoro-2-iodophenyl)urea
CID 79762220
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
N-[3-(1-aminoethyl)phenyl]-3,5-dihydroxybenzamide
CID 107702970
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide (CID 63048072) is N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1cccc(C(C)N)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
The InChIKey is QMOLJMAYESILIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-6-7-13(17)9-15(10)16(20)19-14-5-3-4-12(8-14)11(2)18/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 63048072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).