N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide

C17H15BrClFN2O2 — CID 55885659

IUPACN-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide
SMILESO=C(Cc1ccc(F)c(Br)c1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15BrClFN2O2/c18-13-9-11(5-6-15(13)20)10-16(23)21-7-8-22-17(24)12-3-1-2-4-14(12)19/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyVXKBECMCXKZTQH-UHFFFAOYSA-N
MW413.67 g/mol
LogP3.33
Rot. Bonds6

About N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide

N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide (PubChem CID 55885659) has the molecular formula C17H15BrClFN2O2 and a molecular weight of 413.67 g/mol. Its IUPAC name is N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide
PubChem CID55885659
Molecular FormulaC17H15BrClFN2O2
Molecular Weight413.67 g/mol
Exact Mass412.00
IUPAC NameN-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide
SMILESO=C(Cc1ccc(F)c(Br)c1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15BrClFN2O2/c18-13-9-11(5-6-15(13)20)10-16(23)21-7-8-22-17(24)12-3-1-2-4-14(12)19/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)
InChIKeyVXKBECMCXKZTQH-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.67
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119507812
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-(3-bromo-4-fluorophenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432592
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
2-chloro-N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzamide
CID 55659427
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108573158
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide (CID 55885659) is N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide is O=C(Cc1ccc(F)c(Br)c1)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide?
The InChIKey is VXKBECMCXKZTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClFN2O2/c18-13-9-11(5-6-15(13)20)10-16(23)21-7-8-22-17(24)12-3-1-2-4-14(12)19/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide?
N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide has a molecular weight of 413.67 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 55885659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).