N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide

C16H17FN2O — CID 63047898

IUPACN-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C16H17FN2O/c1-10-3-6-13(17)9-15(10)16(20)19-14-7-4-12(5-8-14)11(2)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyJEQFBUIGKRMPGI-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.41
Rot. Bonds3

About N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide

N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide (PubChem CID 63047898) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
PubChem CID63047898
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(C)N)cc1
InChIInChI=1S/C16H17FN2O/c1-10-3-6-13(17)9-15(10)16(20)19-14-7-4-12(5-8-14)11(2)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyJEQFBUIGKRMPGI-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

Analyze N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63048072
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
CID 146983467
CID 146983467
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide (CID 63047898) is N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(C(C)N)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
The InChIKey is JEQFBUIGKRMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-3-6-13(17)9-15(10)16(20)19-14-7-4-12(5-8-14)11(2)18/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide?
N-[4-(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-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 63047898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).