N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide

C15H13ClFN3O2 — CID 39184018

IUPACN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFN3O2/c16-10-3-1-9(2-4-10)15(22)20-12-6-5-11(17)7-13(12)19-14(21)8-18/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyGUAMTLFYNHJUSO-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.63
Rot. Bonds4

About N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide (PubChem CID 39184018) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
PubChem CID39184018
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide
SMILESNCC(=O)Nc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFN3O2/c16-10-3-1-9(2-4-10)15(22)20-12-6-5-11(17)7-13(12)19-14(21)8-18/h1-7H,8,18H2,(H,19,21)(H,20,22)
InChIKeyGUAMTLFYNHJUSO-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-chlorophenyl]-4-chlorobenzamide
CID 39192788
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide
CID 39184030
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]pyridine-3-carboxamide
CID 39184022
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
CID 43333434
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide (CID 39184018) is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide is NCC(=O)Nc1cc(F)ccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide?
The InChIKey is GUAMTLFYNHJUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-10-3-1-9(2-4-10)15(22)20-12-6-5-11(17)7-13(12)19-14(21)8-18/h1-7H,8,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide?
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide has a molecular weight of 321.74 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-4-chlorobenzamide is sourced from PubChem (CID 39184018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).