N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide

C16H16FN3O2 — CID 39185468

IUPACN-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)CN)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H16FN3O2/c1-10-8-11(19-15(21)9-18)6-7-14(10)20-16(22)12-4-2-3-5-13(12)17/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyYUHBDHKCSWXTKB-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.28
Rot. Bonds4

About N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide

N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide (PubChem CID 39185468) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide
PubChem CID39185468
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)CN)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C16H16FN3O2/c1-10-8-11(19-15(21)9-18)6-7-14(10)20-16(22)12-4-2-3-5-13(12)17/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyYUHBDHKCSWXTKB-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide 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-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-fluorobenzamide
CID 39184440
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide
CID 39185496
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-methoxybenzamide
CID 39184598
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 39185578
N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22775332
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide (CID 39185468) is N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide is Cc1cc(NC(=O)CN)ccc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide?
The InChIKey is YUHBDHKCSWXTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10-8-11(19-15(21)9-18)6-7-14(10)20-16(22)12-4-2-3-5-13(12)17/h2-8H,9,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide?
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide has a molecular weight of 301.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 39185468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).