[2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate

C20H22BrFN2O3 — CID 140785665

IUPAC[2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CNC(=O)Oc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C20H22BrFN2O3/c1-20(2,3)12-24-19(26)27-17-10-15(22)8-9-16(17)18(25)23-11-13-4-6-14(21)7-5-13/h4-10H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGYMSFTAKDSXMHK-UHFFFAOYSA-N
MW437.31 g/mol
LogP4.65
Rot. Bonds5

About [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate

[2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate (PubChem CID 140785665) has the molecular formula C20H22BrFN2O3 and a molecular weight of 437.31 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate
PubChem CID140785665
Molecular FormulaC20H22BrFN2O3
Molecular Weight437.31 g/mol
Exact Mass436.08
IUPAC Name[2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate
SMILESCC(C)(C)CNC(=O)Oc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C20H22BrFN2O3/c1-20(2,3)12-24-19(26)27-17-10-15(22)8-9-16(17)18(25)23-11-13-4-6-14(21)7-5-13/h4-10H,11-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGYMSFTAKDSXMHK-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
ethyl 2-[2-[(4-bromo-2-fluorophenyl)methylcarbamoyl]-5-fluorophenoxy]acetate
CID 69452500
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
[4-[[(4-bromo-2-fluorobenzoyl)amino]methyl]phenyl]methyl-dimethylazanium
CID 8533449
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate (CID 140785665) is [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate is CC(C)(C)CNC(=O)Oc1cc(F)ccc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate?
The InChIKey is GYMSFTAKDSXMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN2O3/c1-20(2,3)12-24-19(26)27-17-10-15(22)8-9-16(17)18(25)23-11-13-4-6-14(21)7-5-13/h4-10H,11-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate?
[2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate has a molecular weight of 437.31 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methylcarbamoyl]-5-fluorophenyl] N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 140785665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).