N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide

C19H20BrFN2O2 — CID 55952744

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20BrFN2O2/c1-13(14-2-6-16(21)7-3-14)12-19(25)22-11-10-18(24)23-17-8-4-15(20)5-9-17/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyTWIRMZPOUPVSNY-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.23
Rot. Bonds7

About N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide

N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide (PubChem CID 55952744) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
PubChem CID55952744
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20BrFN2O2/c1-13(14-2-6-16(21)7-3-14)12-19(25)22-11-10-18(24)23-17-8-4-15(20)5-9-17/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyTWIRMZPOUPVSNY-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
4-[[(3R)-3-(4-fluorophenyl)butanoyl]amino]butanoic acid
CID 99849251
ethyl 3-[[(3S)-3-(4-fluorophenyl)butanoyl]amino]propanoate
CID 94800030
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
7-[3-(4-fluorophenyl)butanoylamino]heptanoic acid
CID 119227583
N-(4-bromophenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021254
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide (CID 55952744) is N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide is CC(CC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide?
The InChIKey is TWIRMZPOUPVSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O2/c1-13(14-2-6-16(21)7-3-14)12-19(25)22-11-10-18(24)23-17-8-4-15(20)5-9-17/h2-9,13H,10-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(4-fluorophenyl)butanamide has a molecular weight of 407.28 g/mol, XLogP of 4.23, 7 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]-3-(4-fluorophenyl)butanamide is sourced from PubChem (CID 55952744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).