N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide

C24H22BrFN2O2 — CID 60523190

IUPACN-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C24H22BrFN2O2/c1-16-7-5-6-10-19(16)24(30)27-14-13-22(29)28-23(17-8-3-2-4-9-17)20-12-11-18(25)15-21(20)26/h2-12,15,23H,13-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyQPUHZZQLRQTPAZ-UHFFFAOYSA-N
MW469.35 g/mol
LogP4.92
Rot. Bonds7

About N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 60523190) has the molecular formula C24H22BrFN2O2 and a molecular weight of 469.35 g/mol. Its IUPAC name is N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID60523190
Molecular FormulaC24H22BrFN2O2
Molecular Weight469.35 g/mol
Exact Mass468.08
IUPAC NameN-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C24H22BrFN2O2/c1-16-7-5-6-10-19(16)24(30)27-14-13-22(29)28-23(17-8-3-2-4-9-17)20-12-11-18(25)15-21(20)26/h2-12,15,23H,13-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyQPUHZZQLRQTPAZ-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.35
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-3-(phenylcarbamoylamino)propanamide
CID 55990369
4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
N-[4-[[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 51965230
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 51315358
N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide
CID 52688316
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]furan-2-carboxamide
CID 55857773
N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
CID 52724876
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55990247
2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
CID 55990114

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide (CID 60523190) is N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NC(c1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is QPUHZZQLRQTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrFN2O2/c1-16-7-5-6-10-19(16)24(30)27-14-13-22(29)28-23(17-8-3-2-4-9-17)20-12-11-18(25)15-21(20)26/h2-12,15,23H,13-14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 469.35 g/mol, XLogP of 4.92, 7 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-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 60523190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).