N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide

C17H18FN3O2 — CID 39185284

IUPACN-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)cc2)cc1NC(=O)CN
InChIInChI=1S/C17H18FN3O2/c1-2-11-5-8-14(9-15(11)21-16(22)10-19)20-17(23)12-3-6-13(18)7-4-12/h3-9H,2,10,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyQWRSIQOWBISKRA-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.54
Rot. Bonds5

About N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide

N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide (PubChem CID 39185284) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide
PubChem CID39185284
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)cc2)cc1NC(=O)CN
InChIInChI=1S/C17H18FN3O2/c1-2-11-5-8-14(9-15(11)21-16(22)10-19)20-17(23)12-3-6-13(18)7-4-12/h3-9H,2,10,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyQWRSIQOWBISKRA-UHFFFAOYSA-N
XLogP2.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]pentanamide
CID 39185216
N-[3-[(2-ethylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-4-fluorobenzamide
CID 46326639
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
CID 39184018
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide
CID 39185368
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375
N-(3-amino-4-ethylphenyl)-4-iodobenzamide
CID 43550217
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide (CID 39185284) is N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide is CCc1ccc(NC(=O)c2ccc(F)cc2)cc1NC(=O)CN.
What is the InChIKey of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide?
The InChIKey is QWRSIQOWBISKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-11-5-8-14(9-15(11)21-16(22)10-19)20-17(23)12-3-6-13(18)7-4-12/h3-9H,2,10,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide?
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 39185284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).