N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide

C18H16BrFN4O — CID 78901541

IUPACN-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)c1ncnc2ccc(F)cc12
InChIInChI=1S/C18H16BrFN4O/c1-11-7-12(19)3-5-15(11)23-17(25)9-24(2)18-14-8-13(20)4-6-16(14)21-10-22-18/h3-8,10H,9H2,1-2H3,(H,23,25)
InChIKeyCNMZLYPRXRMCOY-UHFFFAOYSA-N
MW403.26 g/mol
LogP3.91
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide (PubChem CID 78901541) has the molecular formula C18H16BrFN4O and a molecular weight of 403.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide
PubChem CID78901541
Molecular FormulaC18H16BrFN4O
Molecular Weight403.26 g/mol
Exact Mass402.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)c1ncnc2ccc(F)cc12
InChIInChI=1S/C18H16BrFN4O/c1-11-7-12(19)3-5-15(11)23-17(25)9-24(2)18-14-8-13(20)4-6-16(14)21-10-22-18/h3-8,10H,9H2,1-2H3,(H,23,25)
InChIKeyCNMZLYPRXRMCOY-UHFFFAOYSA-N
XLogP3.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide 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

2-[(6-bromoquinazolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 86946093
N-(4-bromo-2-methylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 26454367
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
N-(4-bromo-2-methylphenyl)-2-[[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]-methylamino]acetamide
CID 46802089
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
CID 78901234
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide (CID 78901541) is N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)c1ncnc2ccc(F)cc12.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide?
The InChIKey is CNMZLYPRXRMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O/c1-11-7-12(19)3-5-15(11)23-17(25)9-24(2)18-14-8-13(20)4-6-16(14)21-10-22-18/h3-8,10H,9H2,1-2H3,(H,23,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide has a molecular weight of 403.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 78901541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).