N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide

C16H14BrClN2O2 — CID 7946251

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c17-12-3-7-14(8-4-12)20-15(21)9-10-19-16(22)11-1-5-13(18)6-2-11/h1-8H,9-10H2,(H,19,22)(H,20,21)
InChIKeySBIHGLXBDVEDGG-UHFFFAOYSA-N
MW381.66 g/mol
LogP3.86
Rot. Bonds5

About N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide

N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide (PubChem CID 7946251) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
PubChem CID7946251
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrClN2O2/c17-12-3-7-14(8-4-12)20-15(21)9-10-19-16(22)11-1-5-13(18)6-2-11/h1-8H,9-10H2,(H,19,22)(H,20,21)
InChIKeySBIHGLXBDVEDGG-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
CID 9153985
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
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4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
CID 55951705
4-bromo-N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]benzamide
CID 26239604
N-[3-(4-bromoanilino)-3-oxopropyl]-2-chloro-6-fluorobenzamide
CID 55979616
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CID 123537340

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide (CID 7946251) is N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide?
The InChIKey is SBIHGLXBDVEDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c17-12-3-7-14(8-4-12)20-15(21)9-10-19-16(22)11-1-5-13(18)6-2-11/h1-8H,9-10H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide has a molecular weight of 381.66 g/mol, XLogP of 3.86, 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]-4-chlorobenzamide is sourced from PubChem (CID 7946251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).