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

C16H13BrClFN2O2 — CID 7959132

IUPACN-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrClFN2O2/c17-10-5-6-14(13(19)9-10)21-15(22)7-8-20-16(23)11-3-1-2-4-12(11)18/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeyYLNSGSHZEYDOKC-UHFFFAOYSA-N
MW399.65 g/mol
LogP4.00
Rot. Bonds5

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

N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide (PubChem CID 7959132) has the molecular formula C16H13BrClFN2O2 and a molecular weight of 399.65 g/mol. Its IUPAC name is N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
PubChem CID7959132
Molecular FormulaC16H13BrClFN2O2
Molecular Weight399.65 g/mol
Exact Mass397.98
IUPAC NameN-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H13BrClFN2O2/c17-10-5-6-14(13(19)9-10)21-15(22)7-8-20-16(23)11-3-1-2-4-12(11)18/h1-6,9H,7-8H2,(H,20,23)(H,21,22)
InChIKeyYLNSGSHZEYDOKC-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

2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
N-[[5-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-chlorobenzamide
CID 1298696
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
CID 55979616
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
2-chloro-N-[3-[2-(difluoromethoxy)anilino]-3-oxopropyl]benzamide
CID 7941475
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide (CID 7959132) is N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(Br)cc1F.
What is the InChIKey of N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide?
The InChIKey is YLNSGSHZEYDOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN2O2/c17-10-5-6-14(13(19)9-10)21-15(22)7-8-20-16(23)11-3-1-2-4-12(11)18/h1-6,9H,7-8H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide?
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide 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-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide is sourced from PubChem (CID 7959132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).