N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide

C16H13BrClFN2O2 — CID 55979616

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
SMILESO=C(CCNC(=O)c1c(F)cccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrClFN2O2/c17-10-4-6-11(7-5-10)21-14(22)8-9-20-16(23)15-12(18)2-1-3-13(15)19/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyDVIUOKHNJWZPQK-UHFFFAOYSA-N
MW399.65 g/mol
LogP4.00
Rot. Bonds5

About N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide

N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide (PubChem CID 55979616) has the molecular formula C16H13BrClFN2O2 and a molecular weight of 399.65 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
PubChem CID55979616
Molecular FormulaC16H13BrClFN2O2
Molecular Weight399.65 g/mol
Exact Mass397.98
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
SMILESO=C(CCNC(=O)c1c(F)cccc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrClFN2O2/c17-10-4-6-11(7-5-10)21-14(22)8-9-20-16(23)15-12(18)2-1-3-13(15)19/h1-7H,8-9H2,(H,20,23)(H,21,22)
InChIKeyDVIUOKHNJWZPQK-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.65
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 43948408
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[4-(2-acetamidoethylcarbamoyl)phenyl]-2-chloro-6-fluorobenzamide
CID 121062127
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 112999678
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide (CID 55979616) is N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide is O=C(CCNC(=O)c1c(F)cccc1Cl)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide?
The InChIKey is DVIUOKHNJWZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O2/c17-10-4-6-11(7-5-10)21-14(22)8-9-20-16(23)15-12(18)2-1-3-13(15)19/h1-7H,8-9H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide has a molecular weight of 399.65 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 55979616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).