4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide

C16H13BrClFN2O2 — CID 7961221

IUPAC4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H13BrClFN2O2/c17-11-3-1-10(2-4-11)16(23)20-8-7-15(22)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeyLRHJPKXIAGNPOU-UHFFFAOYSA-N
MW399.65 g/mol
LogP4.00
Rot. Bonds5

About 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide

4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide (PubChem CID 7961221) has the molecular formula C16H13BrClFN2O2 and a molecular weight of 399.65 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
PubChem CID7961221
Molecular FormulaC16H13BrClFN2O2
Molecular Weight399.65 g/mol
Exact Mass397.98
IUPAC Name4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H13BrClFN2O2/c17-11-3-1-10(2-4-11)16(23)20-8-7-15(22)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeyLRHJPKXIAGNPOU-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

4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-bromobenzoate
CID 2625811
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
4-bromo-N-[3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxopropyl]benzamide
CID 39820563
3-(4-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109039266
4-chloro-N-[4-(2-chloro-4-fluoroanilino)-4-oxobutyl]benzamide
CID 26364301
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide (CID 7961221) is 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1F.
What is the InChIKey of 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide?
The InChIKey is LRHJPKXIAGNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O2/c17-11-3-1-10(2-4-11)16(23)20-8-7-15(22)21-14-6-5-12(18)9-13(14)19/h1-6,9H,7-8H2,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide 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 4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 7961221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).